3-propyl-1-pyridin-4-ylhexan-2-ol

C14H23NO — CID 82995140

IUPAC3-propyl-1-pyridin-4-ylhexan-2-ol
SMILESCCCC(CCC)C(O)Cc1ccncc1
InChIInChI=1S/C14H23NO/c1-3-5-13(6-4-2)14(16)11-12-7-9-15-10-8-12/h7-10,13-14,16H,3-6,11H2,1-2H3
InChIKeyNTBPOGIXGBPXQB-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.20
Rot. Bonds7

About 3-propyl-1-pyridin-4-ylhexan-2-ol

3-propyl-1-pyridin-4-ylhexan-2-ol (PubChem CID 82995140) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-propyl-1-pyridin-4-ylhexan-2-ol.

Molecular Properties

Compound Name3-propyl-1-pyridin-4-ylhexan-2-ol
PubChem CID82995140
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-propyl-1-pyridin-4-ylhexan-2-ol
SMILESCCCC(CCC)C(O)Cc1ccncc1
InChIInChI=1S/C14H23NO/c1-3-5-13(6-4-2)14(16)11-12-7-9-15-10-8-12/h7-10,13-14,16H,3-6,11H2,1-2H3
InChIKeyNTBPOGIXGBPXQB-UHFFFAOYSA-N
XLogP3.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-propyl-1-pyridin-4-ylhexan-2-amine
CID 82987506
3-methoxy-1-pyridin-4-ylpentan-2-ol
CID 116710698
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
(2S)-1-pyridin-4-ylpropan-2-ol
CID 94470889
3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
CID 115787256
4-(2-chloro-3-methylhexyl)pyridine
CID 66459985
2-hydroxy-3-pyridin-4-ylpropanethial
CID 54087654
1-phenylhexane-2,3-diol
CID 68731092
4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol
CID 115814018
1-ethoxy-1-phenyl-3-pyridin-4-ylpropan-2-ol
CID 116757045
3-methyl-1-pyridin-4-ylbutane-2,3-diol
CID 103448896
ethyl 2-methyl-3-pyridin-4-ylpropanoate
CID 22939399

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-pyridin-4-ylhexan-2-ol?
The IUPAC name of 3-propyl-1-pyridin-4-ylhexan-2-ol (CID 82995140) is 3-propyl-1-pyridin-4-ylhexan-2-ol.
What is the SMILES notation for 3-propyl-1-pyridin-4-ylhexan-2-ol?
The canonical SMILES for 3-propyl-1-pyridin-4-ylhexan-2-ol is CCCC(CCC)C(O)Cc1ccncc1.
What is the InChIKey of 3-propyl-1-pyridin-4-ylhexan-2-ol?
The InChIKey is NTBPOGIXGBPXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-5-13(6-4-2)14(16)11-12-7-9-15-10-8-12/h7-10,13-14,16H,3-6,11H2,1-2H3.
What are the key properties of 3-propyl-1-pyridin-4-ylhexan-2-ol?
3-propyl-1-pyridin-4-ylhexan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-pyridin-4-ylhexan-2-ol is sourced from PubChem (CID 82995140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).