1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine

C21H36N4O — CID 45237271

IUPAC1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine
SMILESCn1ccnc1CN(CC1CCN(C2CCCC2)CC1)CC1CCCO1
InChIInChI=1S/C21H36N4O/c1-23-13-10-22-21(23)17-24(16-20-7-4-14-26-20)15-18-8-11-25(12-9-18)19-5-2-3-6-19/h10,13,18-20H,2-9,11-12,14-17H2,1H3
InChIKeyHHCIDTCMWDUOOF-UHFFFAOYSA-N
MW360.55 g/mol
LogP3.06
Rot. Bonds7

About 1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine

1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine (PubChem CID 45237271) has the molecular formula C21H36N4O and a molecular weight of 360.55 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine
PubChem CID45237271
Molecular FormulaC21H36N4O
Molecular Weight360.55 g/mol
Exact Mass360.29
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine
SMILESCn1ccnc1CN(CC1CCN(C2CCCC2)CC1)CC1CCCO1
InChIInChI=1S/C21H36N4O/c1-23-13-10-22-21(23)17-24(16-20-7-4-14-26-20)15-18-8-11-25(12-9-18)19-5-2-3-6-19/h10,13,18-20H,2-9,11-12,14-17H2,1H3
InChIKeyHHCIDTCMWDUOOF-UHFFFAOYSA-N
XLogP3.06
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Cyclohexylmethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine
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CID 70740839
4-(1-methyl-1H-imidazol-2-yl)-1-[2-(tetrahydro-3-furanyl)ethyl]piperidine
CID 70751123
7-[(1-Methylimidazol-2-yl)methyl]-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane
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2-[(1-Methylimidazol-2-yl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 118746912
2-(1-Ethoxyethyl)-1-(oxolan-2-ylmethyl)imidazole
CID 86793090
2-(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidin-4-yl)ethanol
CID 91766409
(S)-3-((R)-Cyclopentyl(1-methyl-1H-imidazol-2-yl)methyl)-4-iso-propyloxazolidine
CID 71607148
1-cyclopentyl-4-{[2-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-1H-imidazol-1-yl]methyl}piperidine
CID 56870394
1-Methyl-4-[1-(oxolan-2-ylmethyl)imidazol-2-yl]piperidine
CID 53792722
4-[1-(2-Ethoxyethyl)imidazol-2-yl]-1-methylpiperidine
CID 53816680
2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]-5-ethyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 139297485

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine (CID 45237271) is 1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine is Cn1ccnc1CN(CC1CCN(C2CCCC2)CC1)CC1CCCO1.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine?
The InChIKey is HHCIDTCMWDUOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O/c1-23-13-10-22-21(23)17-24(16-20-7-4-14-26-20)15-18-8-11-25(12-9-18)19-5-2-3-6-19/h10,13,18-20H,2-9,11-12,14-17H2,1H3.
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine?
1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine has a molecular weight of 360.55 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine is sourced from PubChem (CID 45237271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).