[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-methylpropyl)phenyl]methanone

C22H34N2O2 — CID 56885612

IUPAC[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)N2CCCC(N3CCC(CO)CC3)C2)cc1
InChIInChI=1S/C22H34N2O2/c1-17(2)14-18-5-7-20(8-6-18)22(26)24-11-3-4-21(15-24)23-12-9-19(16-25)10-13-23/h5-8,17,19,21,25H,3-4,9-16H2,1-2H3
InChIKeyIFPDCVYDDPXLSN-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.19
Rot. Bonds5

About [3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-methylpropyl)phenyl]methanone

[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-methylpropyl)phenyl]methanone (PubChem CID 56885612) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is [3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-methylpropyl)phenyl]methanone
PubChem CID56885612
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)N2CCCC(N3CCC(CO)CC3)C2)cc1
InChIInChI=1S/C22H34N2O2/c1-17(2)14-18-5-7-20(8-6-18)22(26)24-11-3-4-21(15-24)23-12-9-19(16-25)10-13-23/h5-8,17,19,21,25H,3-4,9-16H2,1-2H3
InChIKeyIFPDCVYDDPXLSN-UHFFFAOYSA-N
XLogP3.19
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-phenylphenyl)methanone
CID 45210373
cyclopropyl-[4-[4-(2-methylpropyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110806443
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone
CID 86977180
cyclobutyl-[4-[4-(2-methylpropyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110809297
(4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone
CID 121451758
[4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 60947643
[4-(ethylsulfanylmethyl)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110900088
2-[4-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]phenyl]phenyl]-N-methylacetamide
CID 126450765
2-(3,5-dimethoxyphenyl)-1-[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 56881656
(4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 25031425
[(3S)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone
CID 95729380
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-(propylamino)phenyl]methanone
CID 79933698

Frequently Asked Questions

What is the IUPAC name of [3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-methylpropyl)phenyl]methanone?
The IUPAC name of [3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-methylpropyl)phenyl]methanone (CID 56885612) is [3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for [3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for [3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-methylpropyl)phenyl]methanone is CC(C)Cc1ccc(C(=O)N2CCCC(N3CCC(CO)CC3)C2)cc1.
What is the InChIKey of [3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-methylpropyl)phenyl]methanone?
The InChIKey is IFPDCVYDDPXLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-17(2)14-18-5-7-20(8-6-18)22(26)24-11-3-4-21(15-24)23-12-9-19(16-25)10-13-23/h5-8,17,19,21,25H,3-4,9-16H2,1-2H3.
What are the key properties of [3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-methylpropyl)phenyl]methanone?
[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-methylpropyl)phenyl]methanone has a molecular weight of 358.53 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 56885612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).