[4-[[1-(5-ethyl-6-methylhepta-1,6-dien-2-yl)piperidin-4-yl]methyl]phenyl]methanol

C23H35NO — CID 135265755

IUPAC[4-[[1-(5-ethyl-6-methylhepta-1,6-dien-2-yl)piperidin-4-yl]methyl]phenyl]methanol
SMILESC=C(C)C(CC)CCC(=C)N1CCC(Cc2ccc(CO)cc2)CC1
InChIInChI=1S/C23H35NO/c1-5-23(18(2)3)11-6-19(4)24-14-12-21(13-15-24)16-20-7-9-22(17-25)10-8-20/h7-10,21,23,25H,2,4-6,11-17H2,1,3H3
InChIKeyKAZZOPBFQIGVIQ-UHFFFAOYSA-N
MW341.54 g/mol
LogP5.33
Rot. Bonds9

About [4-[[1-(5-ethyl-6-methylhepta-1,6-dien-2-yl)piperidin-4-yl]methyl]phenyl]methanol

[4-[[1-(5-ethyl-6-methylhepta-1,6-dien-2-yl)piperidin-4-yl]methyl]phenyl]methanol (PubChem CID 135265755) has the molecular formula C23H35NO and a molecular weight of 341.54 g/mol. Its IUPAC name is [4-[[1-(5-ethyl-6-methylhepta-1,6-dien-2-yl)piperidin-4-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[1-(5-ethyl-6-methylhepta-1,6-dien-2-yl)piperidin-4-yl]methyl]phenyl]methanol
PubChem CID135265755
Molecular FormulaC23H35NO
Molecular Weight341.54 g/mol
Exact Mass341.27
IUPAC Name[4-[[1-(5-ethyl-6-methylhepta-1,6-dien-2-yl)piperidin-4-yl]methyl]phenyl]methanol
SMILESC=C(C)C(CC)CCC(=C)N1CCC(Cc2ccc(CO)cc2)CC1
InChIInChI=1S/C23H35NO/c1-5-23(18(2)3)11-6-19(4)24-14-12-21(13-15-24)16-20-7-9-22(17-25)10-8-20/h7-10,21,23,25H,2,4-6,11-17H2,1,3H3
InChIKeyKAZZOPBFQIGVIQ-UHFFFAOYSA-N
XLogP5.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [4-[[1-(5-ethyl-6-methylhepta-1,6-dien-2-yl)piperidin-4-yl]methyl]phenyl]methanol with MolForge

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Related Compounds

(2S)-1-(4-benzylpiperidin-1-yl)-2-ethylhexan-1-one
CID 40537907
(2R)-1-(4-benzylpiperidin-1-yl)-2-ethylhexan-1-one
CID 40537850
1-[4-[(4-propan-2-ylsulfanylphenyl)methyl]piperidin-1-yl]ethanone
CID 18538586
N-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 97142329
4-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 70718118
cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97133116
(5-ethyl-1H-pyrrol-2-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 72911945
2-(5-acetylthiophen-3-yl)-1-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 72896877
[4-[(1-cyclopentylpyrrolidin-3-yl)methyl]phenyl]methanol
CID 72919703
N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348046
1-[3-[[[4-(hydroxymethyl)phenyl]methyl-methylamino]methyl]pyrrolidin-1-yl]ethanone
CID 110009631
2-(azepan-1-yl)-1-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 97132995

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(5-ethyl-6-methylhepta-1,6-dien-2-yl)piperidin-4-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[1-(5-ethyl-6-methylhepta-1,6-dien-2-yl)piperidin-4-yl]methyl]phenyl]methanol (CID 135265755) is [4-[[1-(5-ethyl-6-methylhepta-1,6-dien-2-yl)piperidin-4-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[1-(5-ethyl-6-methylhepta-1,6-dien-2-yl)piperidin-4-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[1-(5-ethyl-6-methylhepta-1,6-dien-2-yl)piperidin-4-yl]methyl]phenyl]methanol is C=C(C)C(CC)CCC(=C)N1CCC(Cc2ccc(CO)cc2)CC1.
What is the InChIKey of [4-[[1-(5-ethyl-6-methylhepta-1,6-dien-2-yl)piperidin-4-yl]methyl]phenyl]methanol?
The InChIKey is KAZZOPBFQIGVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO/c1-5-23(18(2)3)11-6-19(4)24-14-12-21(13-15-24)16-20-7-9-22(17-25)10-8-20/h7-10,21,23,25H,2,4-6,11-17H2,1,3H3.
What are the key properties of [4-[[1-(5-ethyl-6-methylhepta-1,6-dien-2-yl)piperidin-4-yl]methyl]phenyl]methanol?
[4-[[1-(5-ethyl-6-methylhepta-1,6-dien-2-yl)piperidin-4-yl]methyl]phenyl]methanol has a molecular weight of 341.54 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(5-ethyl-6-methylhepta-1,6-dien-2-yl)piperidin-4-yl]methyl]phenyl]methanol is sourced from PubChem (CID 135265755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).