1-[3-(4-chlorophenyl)-3-methylbutyl]piperidin-4-ol

C16H24ClNO — CID 142475437

IUPAC1-[3-(4-chlorophenyl)-3-methylbutyl]piperidin-4-ol
SMILESCC(C)(CCN1CCC(O)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-16(2,13-3-5-14(17)6-4-13)9-12-18-10-7-15(19)8-11-18/h3-6,15,19H,7-12H2,1-2H3
InChIKeyNETVLZAWHRHNSK-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.46
Rot. Bonds4

About 1-[3-(4-chlorophenyl)-3-methylbutyl]piperidin-4-ol

1-[3-(4-chlorophenyl)-3-methylbutyl]piperidin-4-ol (PubChem CID 142475437) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-3-methylbutyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-3-methylbutyl]piperidin-4-ol
PubChem CID142475437
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-[3-(4-chlorophenyl)-3-methylbutyl]piperidin-4-ol
SMILESCC(C)(CCN1CCC(O)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-16(2,13-3-5-14(17)6-4-13)9-12-18-10-7-15(19)8-11-18/h3-6,15,19H,7-12H2,1-2H3
InChIKeyNETVLZAWHRHNSK-UHFFFAOYSA-N
XLogP3.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidin-4-ol
CID 13607663
[(3R,4S)-4-(4-Chlorophenyl)-1-methylpiperidin-3-YL]methanol
CID 10657648
4-[3-(4-Chlorophenyl)-4-methylpentyl]morpholine
CID 17583223
[(R)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-methanol
CID 44301837
3-[(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-propan-1-ol
CID 11288622
2-[4-(4-Chloro-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925764
1,1-Bis(4-chlorophenyl)-5-(dimethylamino)pent-1-en-3-ol
CID 44523538
[4-(2-Chlorobenzyl)-1-(2-methylbutyl)piperidin-4-yl]methanol
CID 16187297
2-(4-Chloro-3-fluorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 68673763
US11214540, Example 5
CID 142475100
US11214540, Example 16
CID 142475102
US11214540, Example 22
CID 142475262

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-3-methylbutyl]piperidin-4-ol?
The IUPAC name of 1-[3-(4-chlorophenyl)-3-methylbutyl]piperidin-4-ol (CID 142475437) is 1-[3-(4-chlorophenyl)-3-methylbutyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-3-methylbutyl]piperidin-4-ol?
The canonical SMILES for 1-[3-(4-chlorophenyl)-3-methylbutyl]piperidin-4-ol is CC(C)(CCN1CCC(O)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-3-methylbutyl]piperidin-4-ol?
The InChIKey is NETVLZAWHRHNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-16(2,13-3-5-14(17)6-4-13)9-12-18-10-7-15(19)8-11-18/h3-6,15,19H,7-12H2,1-2H3.
What are the key properties of 1-[3-(4-chlorophenyl)-3-methylbutyl]piperidin-4-ol?
1-[3-(4-chlorophenyl)-3-methylbutyl]piperidin-4-ol has a molecular weight of 281.83 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-3-methylbutyl]piperidin-4-ol is sourced from PubChem (CID 142475437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).