(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone

C16H23NO2 — CID 8779088

IUPAC(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC1CCN(C(=O)c2cccc(OC(C)C)c2)CC1
InChIInChI=1S/C16H23NO2/c1-12(2)19-15-6-4-5-14(11-15)16(18)17-9-7-13(3)8-10-17/h4-6,11-13H,7-10H2,1-3H3
InChIKeyOLPBNVXPJHUJQU-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.35
Rot. Bonds3

About (4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone

(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone (PubChem CID 8779088) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
PubChem CID8779088
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC1CCN(C(=O)c2cccc(OC(C)C)c2)CC1
InChIInChI=1S/C16H23NO2/c1-12(2)19-15-6-4-5-14(11-15)16(18)17-9-7-13(3)8-10-17/h4-6,11-13H,7-10H2,1-3H3
InChIKeyOLPBNVXPJHUJQU-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 109052369
[4-(chloromethyl)piperidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 63397763
piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone
CID 6458312
[4-(ethylamino)piperidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 62919962
[3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 62918972
3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109050480
(4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 81103143
(4-methylpiperidin-1-yl)-(3-prop-2-enoxyphenyl)methanone
CID 2993266
[4-(1-bromoethyl)piperidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 106839146
[4-(1-chloroethyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 106838977
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
(3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079051

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone (CID 8779088) is (4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone is CC1CCN(C(=O)c2cccc(OC(C)C)c2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone?
The InChIKey is OLPBNVXPJHUJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)19-15-6-4-5-14(11-15)16(18)17-9-7-13(3)8-10-17/h4-6,11-13H,7-10H2,1-3H3.
What are the key properties of (4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone?
(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 261.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 8779088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).