6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol

C13H22N2O — CID 107703538

IUPAC6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol
SMILESC[C@@H](NCCCCCCO)c1ccncc1
InChIInChI=1S/C13H22N2O/c1-12(13-6-9-14-10-7-13)15-8-4-2-3-5-11-16/h6-7,9-10,12,15-16H,2-5,8,11H2,1H3/t12-/m1/s1
InChIKeyCOIUKHAXSWPZHJ-GFCCVEGCSA-N
MW222.33 g/mol
LogP2.28
Rot. Bonds8

About 6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol

6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol (PubChem CID 107703538) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol
PubChem CID107703538
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol
SMILESC[C@@H](NCCCCCCO)c1ccncc1
InChIInChI=1S/C13H22N2O/c1-12(13-6-9-14-10-7-13)15-8-4-2-3-5-11-16/h6-7,9-10,12,15-16H,2-5,8,11H2,1H3/t12-/m1/s1
InChIKeyCOIUKHAXSWPZHJ-GFCCVEGCSA-N
XLogP2.28
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol
CID 81410455
N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
CID 81410025
5-[[(1S)-1-(4-bromophenyl)ethyl]amino]pentan-1-ol
CID 81360207
6-(1-pyridin-3-ylethylamino)hexan-1-ol
CID 115906807
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356672
4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356259
5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine
CID 103711047
5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile
CID 81410148
4-methylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 103088256
4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 81371223
N'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine
CID 103882819
5-[1-(3-methylphenyl)ethylamino]pentan-1-ol
CID 107303118

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol?
The IUPAC name of 6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol (CID 107703538) is 6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol?
The canonical SMILES for 6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol is C[C@@H](NCCCCCCO)c1ccncc1.
What is the InChIKey of 6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol?
The InChIKey is COIUKHAXSWPZHJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22N2O/c1-12(13-6-9-14-10-7-13)15-8-4-2-3-5-11-16/h6-7,9-10,12,15-16H,2-5,8,11H2,1H3/t12-/m1/s1.
What are the key properties of 6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol?
6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol is sourced from PubChem (CID 107703538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).