[1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-yl]methanol

C18H28ClNO — CID 142475102

IUPAC[1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-yl]methanol
SMILESCC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(CO)CC1
InChIInChI=1S/C18H28ClNO/c1-14(20-10-8-15(13-21)9-11-20)12-18(2,3)16-4-6-17(19)7-5-16/h4-7,14-15,21H,8-13H2,1-3H3
InChIKeyDDPUCLROMGYQIQ-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.10
Rot. Bonds5

About [1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-yl]methanol

[1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-yl]methanol (PubChem CID 142475102) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is [1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-yl]methanol
PubChem CID142475102
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name[1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-yl]methanol
SMILESCC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(CO)CC1
InChIInChI=1S/C18H28ClNO/c1-14(20-10-8-15(13-21)9-11-20)12-18(2,3)16-4-6-17(19)7-5-16/h4-7,14-15,21H,8-13H2,1-3H3
InChIKeyDDPUCLROMGYQIQ-UHFFFAOYSA-N
XLogP4.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(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
[4-(2-Chlorobenzyl)-1-(2-methylbutyl)piperidin-4-yl]methanol
CID 16187297
US11214540, Example 55
CID 142475074
US11214540, Example 19
CID 142475224
US11214540, Example 5
CID 142475100
US11214540, Example 22
CID 142475262
US11214540, Example 20
CID 142475282
US11214540, Example 8
CID 142475437

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-yl]methanol (CID 142475102) is [1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-yl]methanol is CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(CO)CC1.
What is the InChIKey of [1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-yl]methanol?
The InChIKey is DDPUCLROMGYQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-14(20-10-8-15(13-21)9-11-20)12-18(2,3)16-4-6-17(19)7-5-16/h4-7,14-15,21H,8-13H2,1-3H3.
What are the key properties of [1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-yl]methanol?
[1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-yl]methanol has a molecular weight of 309.88 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 142475102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).