1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol

C13H19ClN2O — CID 113321844

IUPAC1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCN(Cc1ccncc1Cl)CC1(O)CCCC1
InChIInChI=1S/C13H19ClN2O/c1-16(10-13(17)5-2-3-6-13)9-11-4-7-15-8-12(11)14/h4,7-8,17H,2-3,5-6,9-10H2,1H3
InChIKeyTXGMPSJXPLKMMP-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.47
Rot. Bonds4

About 1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol

1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol (PubChem CID 113321844) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
PubChem CID113321844
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCN(Cc1ccncc1Cl)CC1(O)CCCC1
InChIInChI=1S/C13H19ClN2O/c1-16(10-13(17)5-2-3-6-13)9-11-4-7-15-8-12(11)14/h4,7-8,17H,2-3,5-6,9-10H2,1H3
InChIKeyTXGMPSJXPLKMMP-UHFFFAOYSA-N
XLogP2.47
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3-chloro-4-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 84595345
4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide
CID 115869317
5-[(3-chloro-4-pyridinyl)methyl-methylamino]pentan-1-ol
CID 107203900
1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 114948795
1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 115750745
2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 77075569
4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 113269047
1-[[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 114953324
1-[[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 114952614
2-[(3-chloro-4-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115510925
2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone
CID 79070162
2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol
CID 79069940

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol (CID 113321844) is 1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol is CN(Cc1ccncc1Cl)CC1(O)CCCC1.
What is the InChIKey of 1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is TXGMPSJXPLKMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-16(10-13(17)5-2-3-6-13)9-11-4-7-15-8-12(11)14/h4,7-8,17H,2-3,5-6,9-10H2,1H3.
What are the key properties of 1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol?
1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 254.76 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 113321844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).