5-[(3-chloro-4-pyridinyl)methyl-methylamino]pentan-1-ol

C12H19ClN2O — CID 107203900

IUPAC5-[(3-chloro-4-pyridinyl)methyl-methylamino]pentan-1-ol
SMILESCN(CCCCCO)Cc1ccncc1Cl
InChIInChI=1S/C12H19ClN2O/c1-15(7-3-2-4-8-16)10-11-5-6-14-9-12(11)13/h5-6,9,16H,2-4,7-8,10H2,1H3
InChIKeyUUKUKFXXALMUBC-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.33
Rot. Bonds7

About 5-[(3-chloro-4-pyridinyl)methyl-methylamino]pentan-1-ol

5-[(3-chloro-4-pyridinyl)methyl-methylamino]pentan-1-ol (PubChem CID 107203900) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 5-[(3-chloro-4-pyridinyl)methyl-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(3-chloro-4-pyridinyl)methyl-methylamino]pentan-1-ol
PubChem CID107203900
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name5-[(3-chloro-4-pyridinyl)methyl-methylamino]pentan-1-ol
SMILESCN(CCCCCO)Cc1ccncc1Cl
InChIInChI=1S/C12H19ClN2O/c1-15(7-3-2-4-8-16)10-11-5-6-14-9-12(11)13/h5-6,9,16H,2-4,7-8,10H2,1H3
InChIKeyUUKUKFXXALMUBC-UHFFFAOYSA-N
XLogP2.33
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chloro-4-pyridinyl)methyl]-3-(3,5-dimethylpyrazolidin-4-yl)-N-methylpropan-1-amine
CID 133108409
1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 113321844
2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 77075569
1-(3-chloro-4-pyridinyl)-5-hydroxypentan-2-one
CID 106677511
5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol
CID 106547731
5-[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]pentan-1-ol
CID 107204474
1-(3-chloro-4-pyridinyl)-4-(dimethylamino)butan-2-ol
CID 115345875
2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 71982948
1-(3-chloro-4-pyridinyl)-3-(dimethylamino)-3-methylbutan-2-one
CID 79047726
5-[(5-fluoro-3-pyridinyl)methyl-methylamino]pentan-1-ol
CID 107272128
N'-[(3-chloro-4-pyridinyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102113
N-[(3-chloro-4-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045751

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-pyridinyl)methyl-methylamino]pentan-1-ol?
The IUPAC name of 5-[(3-chloro-4-pyridinyl)methyl-methylamino]pentan-1-ol (CID 107203900) is 5-[(3-chloro-4-pyridinyl)methyl-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(3-chloro-4-pyridinyl)methyl-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(3-chloro-4-pyridinyl)methyl-methylamino]pentan-1-ol is CN(CCCCCO)Cc1ccncc1Cl.
What is the InChIKey of 5-[(3-chloro-4-pyridinyl)methyl-methylamino]pentan-1-ol?
The InChIKey is UUKUKFXXALMUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-15(7-3-2-4-8-16)10-11-5-6-14-9-12(11)13/h5-6,9,16H,2-4,7-8,10H2,1H3.
What are the key properties of 5-[(3-chloro-4-pyridinyl)methyl-methylamino]pentan-1-ol?
5-[(3-chloro-4-pyridinyl)methyl-methylamino]pentan-1-ol has a molecular weight of 242.75 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-pyridinyl)methyl-methylamino]pentan-1-ol is sourced from PubChem (CID 107203900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).