3-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propylpiperidin-4-ol

C22H28ClNO2 — CID 110534149

IUPAC3-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)C(Cc2cccc(OCc3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C22H28ClNO2/c1-2-11-24-12-10-22(25)19(15-24)13-18-4-3-5-21(14-18)26-16-17-6-8-20(23)9-7-17/h3-9,14,19,22,25H,2,10-13,15-16H2,1H3
InChIKeyCOAWETGOZAVLBU-UHFFFAOYSA-N
MW373.92 g/mol
LogP4.55
Rot. Bonds7

About 3-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propylpiperidin-4-ol

3-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propylpiperidin-4-ol (PubChem CID 110534149) has the molecular formula C22H28ClNO2 and a molecular weight of 373.92 g/mol. Its IUPAC name is 3-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propylpiperidin-4-ol.

Molecular Properties

Compound Name3-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propylpiperidin-4-ol
PubChem CID110534149
Molecular FormulaC22H28ClNO2
Molecular Weight373.92 g/mol
Exact Mass373.18
IUPAC Name3-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)C(Cc2cccc(OCc3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C22H28ClNO2/c1-2-11-24-12-10-22(25)19(15-24)13-18-4-3-5-21(14-18)26-16-17-6-8-20(23)9-7-17/h3-9,14,19,22,25H,2,10-13,15-16H2,1H3
InChIKeyCOAWETGOZAVLBU-UHFFFAOYSA-N
XLogP4.55
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.92
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol
CID 110538491
3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol
CID 110540158
3-[(2,4-diethoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110537539
3-[(2-chloro-4-nonoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110531882
1-methyl-4-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 74248786
1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol
CID 110538160
3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol
CID 110530591
1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 110533457
2-(3-phenylmethoxyphenyl)-4-propylmorpholine
CID 15006489
1-benzyl-3-[(2-chloro-4-nonoxyphenyl)methyl]piperidin-4-ol
CID 110529722
(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol
CID 131850383
(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882936

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propylpiperidin-4-ol?
The IUPAC name of 3-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propylpiperidin-4-ol (CID 110534149) is 3-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propylpiperidin-4-ol.
What is the SMILES notation for 3-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propylpiperidin-4-ol?
The canonical SMILES for 3-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propylpiperidin-4-ol is CCCN1CCC(O)C(Cc2cccc(OCc3ccc(Cl)cc3)c2)C1.
What is the InChIKey of 3-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propylpiperidin-4-ol?
The InChIKey is COAWETGOZAVLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClNO2/c1-2-11-24-12-10-22(25)19(15-24)13-18-4-3-5-21(14-18)26-16-17-6-8-20(23)9-7-17/h3-9,14,19,22,25H,2,10-13,15-16H2,1H3.
What are the key properties of 3-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propylpiperidin-4-ol?
3-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propylpiperidin-4-ol has a molecular weight of 373.92 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propylpiperidin-4-ol is sourced from PubChem (CID 110534149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).