2-methyl-1-piperidin-1-yl-3-(4-prop-1-en-2-ylphenyl)propan-1-one

C18H25NO — CID 20770261

IUPAC2-methyl-1-piperidin-1-yl-3-(4-prop-1-en-2-ylphenyl)propan-1-one
SMILESC=C(C)c1ccc(CC(C)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H25NO/c1-14(2)17-9-7-16(8-10-17)13-15(3)18(20)19-11-5-4-6-12-19/h7-10,15H,1,4-6,11-13H2,2-3H3
InChIKeyIIHWFJBHSFHZHN-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.91
Rot. Bonds4

About 2-methyl-1-piperidin-1-yl-3-(4-prop-1-en-2-ylphenyl)propan-1-one

2-methyl-1-piperidin-1-yl-3-(4-prop-1-en-2-ylphenyl)propan-1-one (PubChem CID 20770261) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-methyl-1-piperidin-1-yl-3-(4-prop-1-en-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-piperidin-1-yl-3-(4-prop-1-en-2-ylphenyl)propan-1-one
PubChem CID20770261
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-methyl-1-piperidin-1-yl-3-(4-prop-1-en-2-ylphenyl)propan-1-one
SMILESC=C(C)c1ccc(CC(C)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H25NO/c1-14(2)17-9-7-16(8-10-17)13-15(3)18(20)19-11-5-4-6-12-19/h7-10,15H,1,4-6,11-13H2,2-3H3
InChIKeyIIHWFJBHSFHZHN-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N'-hydroxy-4-[(2R)-2-methyl-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide
CID 91311863
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-(4-fluorophenyl)-2-methylpropan-1-one
CID 167757594
3-(3-hydroxy-4-methylphenyl)-2-methyl-1-piperidin-1-ylpropan-1-one
CID 66609867
(2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 59968912
2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one
CID 110674004
1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
CID 110674012
2-amino-2-[4-(2-methylpropyl)phenyl]-1-pyrrolidin-1-ylethanone
CID 116851302
2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 76891869
2-amino-3-(4-ethylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 116851361
(2S)-2-amino-1-(azetidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 150668199
(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148035
3-(4-bromophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 82095106

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-piperidin-1-yl-3-(4-prop-1-en-2-ylphenyl)propan-1-one?
The IUPAC name of 2-methyl-1-piperidin-1-yl-3-(4-prop-1-en-2-ylphenyl)propan-1-one (CID 20770261) is 2-methyl-1-piperidin-1-yl-3-(4-prop-1-en-2-ylphenyl)propan-1-one.
What is the SMILES notation for 2-methyl-1-piperidin-1-yl-3-(4-prop-1-en-2-ylphenyl)propan-1-one?
The canonical SMILES for 2-methyl-1-piperidin-1-yl-3-(4-prop-1-en-2-ylphenyl)propan-1-one is C=C(C)c1ccc(CC(C)C(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-methyl-1-piperidin-1-yl-3-(4-prop-1-en-2-ylphenyl)propan-1-one?
The InChIKey is IIHWFJBHSFHZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-14(2)17-9-7-16(8-10-17)13-15(3)18(20)19-11-5-4-6-12-19/h7-10,15H,1,4-6,11-13H2,2-3H3.
What are the key properties of 2-methyl-1-piperidin-1-yl-3-(4-prop-1-en-2-ylphenyl)propan-1-one?
2-methyl-1-piperidin-1-yl-3-(4-prop-1-en-2-ylphenyl)propan-1-one has a molecular weight of 271.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-piperidin-1-yl-3-(4-prop-1-en-2-ylphenyl)propan-1-one is sourced from PubChem (CID 20770261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).