N,1-dimethyl-N-(piperazin-1-ylmethyl)piperidin-4-amine

C12H26N4 — CID 115229945

IUPACN,1-dimethyl-N-(piperazin-1-ylmethyl)piperidin-4-amine
SMILESCN1CCC(N(C)CN2CCNCC2)CC1
InChIInChI=1S/C12H26N4/c1-14-7-3-12(4-8-14)15(2)11-16-9-5-13-6-10-16/h12-13H,3-11H2,1-2H3
InChIKeyQCOPPPREZCRDJJ-UHFFFAOYSA-N
MW226.37 g/mol
LogP-0.12
Rot. Bonds3

About N,1-dimethyl-N-(piperazin-1-ylmethyl)piperidin-4-amine

N,1-dimethyl-N-(piperazin-1-ylmethyl)piperidin-4-amine (PubChem CID 115229945) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is N,1-dimethyl-N-(piperazin-1-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-(piperazin-1-ylmethyl)piperidin-4-amine
PubChem CID115229945
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC NameN,1-dimethyl-N-(piperazin-1-ylmethyl)piperidin-4-amine
SMILESCN1CCC(N(C)CN2CCNCC2)CC1
InChIInChI=1S/C12H26N4/c1-14-7-3-12(4-8-14)15(2)11-16-9-5-13-6-10-16/h12-13H,3-11H2,1-2H3
InChIKeyQCOPPPREZCRDJJ-UHFFFAOYSA-N
XLogP-0.12
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-methylpiperidin-4-yl)-N-(piperazin-1-ylmethyl)methanamine
CID 115230110
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylethanamine
CID 63236887
4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-4-ol
CID 55048858
N-methyl-N-(3-piperazin-1-ylpropyl)cycloheptanamine
CID 117029722
N-methyl-N-(piperidin-1-ylmethyl)cyclohexanamine
CID 142673635
N-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine
CID 115240363
N,1-dimethyl-N-(2-piperidin-4-yloxyethyl)piperidin-4-amine
CID 55251859
N,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine
CID 115255572
N-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine
CID 116679267
1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)azepan-4-amine
CID 65077785
N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 59369351
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclopropanamine
CID 138723132

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(piperazin-1-ylmethyl)piperidin-4-amine?
The IUPAC name of N,1-dimethyl-N-(piperazin-1-ylmethyl)piperidin-4-amine (CID 115229945) is N,1-dimethyl-N-(piperazin-1-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-(piperazin-1-ylmethyl)piperidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-(piperazin-1-ylmethyl)piperidin-4-amine is CN1CCC(N(C)CN2CCNCC2)CC1.
What is the InChIKey of N,1-dimethyl-N-(piperazin-1-ylmethyl)piperidin-4-amine?
The InChIKey is QCOPPPREZCRDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-14-7-3-12(4-8-14)15(2)11-16-9-5-13-6-10-16/h12-13H,3-11H2,1-2H3.
What are the key properties of N,1-dimethyl-N-(piperazin-1-ylmethyl)piperidin-4-amine?
N,1-dimethyl-N-(piperazin-1-ylmethyl)piperidin-4-amine has a molecular weight of 226.37 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(piperazin-1-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 115229945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).