3-methyl-2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-ol

C17H27NO — CID 116988907

IUPAC3-methyl-2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-ol
SMILESCC(C)C(CO)c1cccc(C2CCN(C)CC2)c1
InChIInChI=1S/C17H27NO/c1-13(2)17(12-19)16-6-4-5-15(11-16)14-7-9-18(3)10-8-14/h4-6,11,13-14,17,19H,7-10,12H2,1-3H3
InChIKeyJHORXMXIMUCPQA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.23
Rot. Bonds4

About 3-methyl-2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-ol

3-methyl-2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-ol (PubChem CID 116988907) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-methyl-2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-ol
PubChem CID116988907
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-methyl-2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-ol
SMILESCC(C)C(CO)c1cccc(C2CCN(C)CC2)c1
InChIInChI=1S/C17H27NO/c1-13(2)17(12-19)16-6-4-5-15(11-16)14-7-9-18(3)10-8-14/h4-6,11,13-14,17,19H,7-10,12H2,1-3H3
InChIKeyJHORXMXIMUCPQA-UHFFFAOYSA-N
XLogP3.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine
CID 117368932
(2S)-2-(3-cyclopropylphenyl)propan-1-ol
CID 129077577
2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-amine
CID 116988906
2-amino-2-[3-(1-methylpiperidin-4-yl)phenyl]acetic acid
CID 117374139
2-methyl-3-[3-(1-methylpiperidin-4-yl)phenyl]propanoic acid
CID 117408077
3-cyclopropyl-3-[3-(1-methylazepan-4-yl)phenyl]propanoic acid
CID 117485723
4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine
CID 116988876
2-[3-(1-methylazepan-4-yl)phenyl]ethanol
CID 117339022
ethyl 3-(1-methylpiperidin-4-yl)benzoate
CID 116988913
N,3-dimethyl-2-(3-piperidin-4-ylphenyl)butan-1-amine
CID 116988972
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-ol?
The IUPAC name of 3-methyl-2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-ol (CID 116988907) is 3-methyl-2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-ol?
The canonical SMILES for 3-methyl-2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-ol is CC(C)C(CO)c1cccc(C2CCN(C)CC2)c1.
What is the InChIKey of 3-methyl-2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-ol?
The InChIKey is JHORXMXIMUCPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)17(12-19)16-6-4-5-15(11-16)14-7-9-18(3)10-8-14/h4-6,11,13-14,17,19H,7-10,12H2,1-3H3.
What are the key properties of 3-methyl-2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-ol?
3-methyl-2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-ol is sourced from PubChem (CID 116988907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).