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

C12H17ClN2O — CID 84595345

IUPAC1-[[(3-chloro-4-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1ccncc1Cl
InChIInChI=1S/C12H17ClN2O/c1-15(9-12(16)5-2-3-6-12)11-4-7-14-8-10(11)13/h4,7-8,16H,2-3,5-6,9H2,1H3
InChIKeyPUSAXGOZPYTYTN-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.48
Rot. Bonds3

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

1-[[(3-chloro-4-pyridinyl)-methylamino]methyl]cyclopentan-1-ol (PubChem CID 84595345) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-[[(3-chloro-4-pyridinyl)-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(3-chloro-4-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
PubChem CID84595345
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-[[(3-chloro-4-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1ccncc1Cl
InChIInChI=1S/C12H17ClN2O/c1-15(9-12(16)5-2-3-6-12)11-4-7-14-8-10(11)13/h4,7-8,16H,2-3,5-6,9H2,1H3
InChIKeyPUSAXGOZPYTYTN-UHFFFAOYSA-N
XLogP2.48
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 113321844
4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide
CID 115869317
1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol
CID 104985486
1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 104985405
3-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylpyridin-4-amine
CID 79840375
1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 114947842
5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzonitrile
CID 115868668
3-chloro-N-(2-chloropropyl)-N-methylpyridin-4-amine
CID 79841040
2-[(3-chloro-4-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 71977838
3-[(3-chloro-4-pyridinyl)-methylamino]propanethioamide
CID 79840987
5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
CID 114949729
N'-(3-chloro-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 79840509

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-chloro-4-pyridinyl)-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(3-chloro-4-pyridinyl)-methylamino]methyl]cyclopentan-1-ol (CID 84595345) is 1-[[(3-chloro-4-pyridinyl)-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(3-chloro-4-pyridinyl)-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(3-chloro-4-pyridinyl)-methylamino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)c1ccncc1Cl.
What is the InChIKey of 1-[[(3-chloro-4-pyridinyl)-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is PUSAXGOZPYTYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-15(9-12(16)5-2-3-6-12)11-4-7-14-8-10(11)13/h4,7-8,16H,2-3,5-6,9H2,1H3.
What are the key properties of 1-[[(3-chloro-4-pyridinyl)-methylamino]methyl]cyclopentan-1-ol?
1-[[(3-chloro-4-pyridinyl)-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 240.73 g/mol, XLogP of 2.48, 3 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)-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 84595345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).