2-(4-cyclopropylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine

C15H29N3O — CID 55087769

IUPAC2-(4-cyclopropylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)N1CCN(C2CC2)CC1
InChIInChI=1S/C15H29N3O/c1-13(11-16-12-15-3-2-10-19-15)17-6-8-18(9-7-17)14-4-5-14/h13-16H,2-12H2,1H3
InChIKeySHACVUIFSSMDLN-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.92
Rot. Bonds6

About 2-(4-cyclopropylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine

2-(4-cyclopropylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 55087769) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID55087769
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-(4-cyclopropylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)N1CCN(C2CC2)CC1
InChIInChI=1S/C15H29N3O/c1-13(11-16-12-15-3-2-10-19-15)17-6-8-18(9-7-17)14-4-5-14/h13-16H,2-12H2,1H3
InChIKeySHACVUIFSSMDLN-UHFFFAOYSA-N
XLogP0.92
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55088990
2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62557461
2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63163669
2-(3-ethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62569537
N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 62446554
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63192699
N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-3-methylbutan-1-amine
CID 62568657
(2R)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pentan-1-amine
CID 28619216
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62566084
2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine
CID 62568854
1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111136615
N-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 55066116

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine (CID 55087769) is 2-(4-cyclopropylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine is CC(CNCC1CCCO1)N1CCN(C2CC2)CC1.
What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is SHACVUIFSSMDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(11-16-12-15-3-2-10-19-15)17-6-8-18(9-7-17)14-4-5-14/h13-16H,2-12H2,1H3.
What are the key properties of 2-(4-cyclopropylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
2-(4-cyclopropylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 55087769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).