3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol

C15H21Cl2NO — CID 110538491

IUPAC3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)C(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H21Cl2NO/c1-2-6-18-7-5-15(19)12(10-18)8-11-3-4-13(16)14(17)9-11/h3-4,9,12,15,19H,2,5-8,10H2,1H3
InChIKeyUSXRGUUGIPHXIC-UHFFFAOYSA-N
MW302.25 g/mol
LogP3.63
Rot. Bonds4

About 3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol

3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol (PubChem CID 110538491) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol
PubChem CID110538491
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Name3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)C(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H21Cl2NO/c1-2-6-18-7-5-15(19)12(10-18)8-11-3-4-13(16)14(17)9-11/h3-4,9,12,15,19H,2,5-8,10H2,1H3
InChIKeyUSXRGUUGIPHXIC-UHFFFAOYSA-N
XLogP3.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110538030
3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol
CID 110540158
3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110537918
3-[(2-chloro-4-nonoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110531882
1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol
CID 110538160
2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669702
3-[(2,4-diethoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110537539
3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110537925
4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]cyclohexan-1-ol
CID 63461445
3-[(3-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110536370
(3R,4R)-3-benzyl-1-propylpiperidin-4-amine
CID 124748447
1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine
CID 144996291

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol?
The IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol (CID 110538491) is 3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol is CCCN1CCC(O)C(Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol?
The InChIKey is USXRGUUGIPHXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-2-6-18-7-5-15(19)12(10-18)8-11-3-4-13(16)14(17)9-11/h3-4,9,12,15,19H,2,5-8,10H2,1H3.
What are the key properties of 3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol?
3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol has a molecular weight of 302.25 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol is sourced from PubChem (CID 110538491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).