[1-(aminomethyl)cyclopentyl]-[3-(dimethylamino)piperidin-1-yl]methanone;dihydrochloride

C14H29Cl2N3O — CID 119874483

IUPAC[1-(aminomethyl)cyclopentyl]-[3-(dimethylamino)piperidin-1-yl]methanone;dihydrochloride
SMILESCN(C)C1CCCN(C(=O)C2(CN)CCCC2)C1.Cl.Cl
InChIInChI=1S/C14H27N3O.2ClH/c1-16(2)12-6-5-9-17(10-12)13(18)14(11-15)7-3-4-8-14;;/h12H,3-11,15H2,1-2H3;2*1H
InChIKeyNZMNXUSWPKIJIO-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.90
Rot. Bonds3

About [1-(aminomethyl)cyclopentyl]-[3-(dimethylamino)piperidin-1-yl]methanone;dihydrochloride

[1-(aminomethyl)cyclopentyl]-[3-(dimethylamino)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119874483) has the molecular formula C14H29Cl2N3O and a molecular weight of 326.31 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-[3-(dimethylamino)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-[3-(dimethylamino)piperidin-1-yl]methanone;dihydrochloride
PubChem CID119874483
Molecular FormulaC14H29Cl2N3O
Molecular Weight326.31 g/mol
Exact Mass325.17
IUPAC Name[1-(aminomethyl)cyclopentyl]-[3-(dimethylamino)piperidin-1-yl]methanone;dihydrochloride
SMILESCN(C)C1CCCN(C(=O)C2(CN)CCCC2)C1.Cl.Cl
InChIInChI=1S/C14H27N3O.2ClH/c1-16(2)12-6-5-9-17(10-12)13(18)14(11-15)7-3-4-8-14;;/h12H,3-11,15H2,1-2H3;2*1H
InChIKeyNZMNXUSWPKIJIO-UHFFFAOYSA-N
XLogP1.90
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 94008212
(1-aminocyclobutyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 81168310
(3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid
CID 115444265
[1-(aminomethyl)cyclobutyl]-(3-ethoxypiperidin-1-yl)methanone
CID 80587348
[1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride
CID 119669538
[1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 94895786
[1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone
CID 63609214
[4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride
CID 120925164
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[1-(aminomethyl)cycloheptyl]methanone
CID 79938168
[1-(aminomethyl)cyclohexyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81463790
[1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone
CID 80587134
[1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone
CID 102957592

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]-[3-(dimethylamino)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-[3-(dimethylamino)piperidin-1-yl]methanone;dihydrochloride (CID 119874483) is [1-(aminomethyl)cyclopentyl]-[3-(dimethylamino)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-[3-(dimethylamino)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-[3-(dimethylamino)piperidin-1-yl]methanone;dihydrochloride is CN(C)C1CCCN(C(=O)C2(CN)CCCC2)C1.Cl.Cl.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-[3-(dimethylamino)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is NZMNXUSWPKIJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.2ClH/c1-16(2)12-6-5-9-17(10-12)13(18)14(11-15)7-3-4-8-14;;/h12H,3-11,15H2,1-2H3;2*1H.
What are the key properties of [1-(aminomethyl)cyclopentyl]-[3-(dimethylamino)piperidin-1-yl]methanone;dihydrochloride?
[1-(aminomethyl)cyclopentyl]-[3-(dimethylamino)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 326.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-[3-(dimethylamino)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119874483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).