1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol

C13H19ClN2O — CID 115750745

IUPAC1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCN(Cc1ccc(Cl)nc1)CC1(O)CCCC1
InChIInChI=1S/C13H19ClN2O/c1-16(10-13(17)6-2-3-7-13)9-11-4-5-12(14)15-8-11/h4-5,8,17H,2-3,6-7,9-10H2,1H3
InChIKeyMAGXOXCCBVYUQX-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.47
Rot. Bonds4

About 1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol

1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol (PubChem CID 115750745) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
PubChem CID115750745
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCN(Cc1ccc(Cl)nc1)CC1(O)CCCC1
InChIInChI=1S/C13H19ClN2O/c1-16(10-13(17)6-2-3-7-13)9-11-4-5-12(14)15-8-11/h4-5,8,17H,2-3,6-7,9-10H2,1H3
InChIKeyMAGXOXCCBVYUQX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[[[6-(ethylamino)-3-pyridinyl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 114953204
1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 114948795
4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid
CID 65212652
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 60719313
3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 111543545
1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 113321838
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63866570
1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 113321844
N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine
CID 89003402
N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide
CID 19967186
4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol
CID 175662545

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol (CID 115750745) is 1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol is CN(Cc1ccc(Cl)nc1)CC1(O)CCCC1.
What is the InChIKey of 1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is MAGXOXCCBVYUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-16(10-13(17)6-2-3-7-13)9-11-4-5-12(14)15-8-11/h4-5,8,17H,2-3,6-7,9-10H2,1H3.
What are the key properties of 1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol?
1-[[(6-chloro-3-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-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 115750745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).