(2R,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(3S)-1,3-di(propan-2-yl)piperazine;(2R)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide;(1R,4R,5S)-N-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-amine

C37H79N9O — CID 159450725

IUPAC(2R,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(3S)-1,3-di(propan-2-yl)piperazine;(2R)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide;(1R,4R,5S)-N-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-amine
SMILESCC(C)N1C[C@H](C)NC[C@H]1C.CC(C)N[C@H]1C[C@H]2C[C@@H]1CN2.CC(C)[C@H]1CN(C(C)C)CCN1.CNC(=O)[C@H]1CN(C(C)C)CCN1
InChIInChI=1S/C10H22N2.C9H19N3O.C9H18N2.C9H20N2/c1-8(2)10-7-12(9(3)4)6-5-11-10;1-7(2)12-5-4-11-8(6-12)9(13)10-3;1-6(2)11-9-4-8-3-7(9)5-10-8;1-7(2)11-6-8(3)10-5-9(11)4/h8-11H,5-7H2,1-4H3;7-8,11H,4-6H2,1-3H3,(H,10,13);6-11H,3-5H2,1-2H3;7-10H,5-6H2,1-4H3/t10-;8-;7-,8-,9+;8-,9+/m1110/s1
InChIKeyLTILRHACHGUXQR-TXRWPUOHSA-N
MW666.10 g/mol
LogP2.55
Rot. Bonds7

About (2R,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(3S)-1,3-di(propan-2-yl)piperazine;(2R)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide;(1R,4R,5S)-N-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-amine

(2R,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(3S)-1,3-di(propan-2-yl)piperazine;(2R)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide;(1R,4R,5S)-N-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-amine (PubChem CID 159450725) has the molecular formula C37H79N9O and a molecular weight of 666.10 g/mol. Its IUPAC name is (2R,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(3S)-1,3-di(propan-2-yl)piperazine;(2R)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide;(1R,4R,5S)-N-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-amine.

Molecular Properties

Compound Name(2R,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(3S)-1,3-di(propan-2-yl)piperazine;(2R)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide;(1R,4R,5S)-N-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-amine
PubChem CID159450725
Molecular FormulaC37H79N9O
Molecular Weight666.10 g/mol
Exact Mass665.64
IUPAC Name(2R,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(3S)-1,3-di(propan-2-yl)piperazine;(2R)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide;(1R,4R,5S)-N-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-amine
SMILESCC(C)N1C[C@H](C)NC[C@H]1C.CC(C)N[C@H]1C[C@H]2C[C@@H]1CN2.CC(C)[C@H]1CN(C(C)C)CCN1.CNC(=O)[C@H]1CN(C(C)C)CCN1
InChIInChI=1S/C10H22N2.C9H19N3O.C9H18N2.C9H20N2/c1-8(2)10-7-12(9(3)4)6-5-11-10;1-7(2)12-5-4-11-8(6-12)9(13)10-3;1-6(2)11-9-4-8-3-7(9)5-10-8;1-7(2)11-6-8(3)10-5-9(11)4/h8-11H,5-7H2,1-4H3;7-8,11H,4-6H2,1-3H3,(H,10,13);6-11H,3-5H2,1-2H3;7-10H,5-6H2,1-4H3/t10-;8-;7-,8-,9+;8-,9+/m1110/s1
InChIKeyLTILRHACHGUXQR-TXRWPUOHSA-N
XLogP2.55
TPSA98.97 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.10
LogP ≤ 52.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze (2R,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(3S)-1,3-di(propan-2-yl)piperazine;(2R)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide;(1R,4R,5S)-N-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[3-(4-propylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide
CID 154670727
2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide;molecular hydrogen
CID 154671256
2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide
CID 154671257
1-cyclopentylpiperazine;2,3-dimethylpiperazine;1-methylpiperazine;bis(2-methylpiperazine);2-(4-methylpiperazin-1-yl)ethanamine;1-methyl-4-(2-piperidin-4-ylethyl)piperazine;piperazine;piperazin-2-one;N-(2-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine;3-piperazin-1-ylpropan-1-amine;1-(3-pyrrolidin-1-ylpropyl)piperazine
CID 157628200
N,4-dimethylpentanamide;(1S,4S)-2-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane;N-methyl-N-(3-methylbutyl)piperidin-4-amine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-N-(piperidin-4-ylmethyl)butan-1-amine
CID 158140262
molecular hydrogen;N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide
CID 166466873
N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide;molecular hydrogen
CID 166466921
N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]acetamide
CID 169669526
N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide
CID 166466874
N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide
CID 166466922

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(3S)-1,3-di(propan-2-yl)piperazine;(2R)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide;(1R,4R,5S)-N-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-amine?
The IUPAC name of (2R,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(3S)-1,3-di(propan-2-yl)piperazine;(2R)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide;(1R,4R,5S)-N-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-amine (CID 159450725) is (2R,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(3S)-1,3-di(propan-2-yl)piperazine;(2R)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide;(1R,4R,5S)-N-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-amine.
What is the SMILES notation for (2R,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(3S)-1,3-di(propan-2-yl)piperazine;(2R)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide;(1R,4R,5S)-N-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-amine?
The canonical SMILES for (2R,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(3S)-1,3-di(propan-2-yl)piperazine;(2R)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide;(1R,4R,5S)-N-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-amine is CC(C)N1C[C@H](C)NC[C@H]1C.CC(C)N[C@H]1C[C@H]2C[C@@H]1CN2.CC(C)[C@H]1CN(C(C)C)CCN1.CNC(=O)[C@H]1CN(C(C)C)CCN1.
What is the InChIKey of (2R,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(3S)-1,3-di(propan-2-yl)piperazine;(2R)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide;(1R,4R,5S)-N-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-amine?
The InChIKey is LTILRHACHGUXQR-TXRWPUOHSA-N. The full InChI is InChI=1S/C10H22N2.C9H19N3O.C9H18N2.C9H20N2/c1-8(2)10-7-12(9(3)4)6-5-11-10;1-7(2)12-5-4-11-8(6-12)9(13)10-3;1-6(2)11-9-4-8-3-7(9)5-10-8;1-7(2)11-6-8(3)10-5-9(11)4/h8-11H,5-7H2,1-4H3;7-8,11H,4-6H2,1-3H3,(H,10,13);6-11H,3-5H2,1-2H3;7-10H,5-6H2,1-4H3/t10-;8-;7-,8-,9+;8-,9+/m1110/s1.
What are the key properties of (2R,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(3S)-1,3-di(propan-2-yl)piperazine;(2R)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide;(1R,4R,5S)-N-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-amine?
(2R,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(3S)-1,3-di(propan-2-yl)piperazine;(2R)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide;(1R,4R,5S)-N-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-amine has a molecular weight of 666.10 g/mol, XLogP of 2.55, 7 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(3S)-1,3-di(propan-2-yl)piperazine;(2R)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide;(1R,4R,5S)-N-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-amine is sourced from PubChem (CID 159450725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).