ethane;2-[[1-(2-methyl-3-phenylphenyl)piperidin-4-yl]amino]butan-1-ol

C24H36N2O — CID 145408547

IUPACethane;2-[[1-(2-methyl-3-phenylphenyl)piperidin-4-yl]amino]butan-1-ol
SMILESCC.CCC(CO)NC1CCN(c2cccc(-c3ccccc3)c2C)CC1
InChIInChI=1S/C22H30N2O.C2H6/c1-3-19(16-25)23-20-12-14-24(15-13-20)22-11-7-10-21(17(22)2)18-8-5-4-6-9-18;1-2/h4-11,19-20,23,25H,3,12-16H2,1-2H3;1-2H3
InChIKeyVZMNDSYYKPJWRS-UHFFFAOYSA-N
MW368.57 g/mol
LogP5.02
Rot. Bonds6

About ethane;2-[[1-(2-methyl-3-phenylphenyl)piperidin-4-yl]amino]butan-1-ol

ethane;2-[[1-(2-methyl-3-phenylphenyl)piperidin-4-yl]amino]butan-1-ol (PubChem CID 145408547) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is ethane;2-[[1-(2-methyl-3-phenylphenyl)piperidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Nameethane;2-[[1-(2-methyl-3-phenylphenyl)piperidin-4-yl]amino]butan-1-ol
PubChem CID145408547
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Nameethane;2-[[1-(2-methyl-3-phenylphenyl)piperidin-4-yl]amino]butan-1-ol
SMILESCC.CCC(CO)NC1CCN(c2cccc(-c3ccccc3)c2C)CC1
InChIInChI=1S/C22H30N2O.C2H6/c1-3-19(16-25)23-20-12-14-24(15-13-20)22-11-7-10-21(17(22)2)18-8-5-4-6-9-18;1-2/h4-11,19-20,23,25H,3,12-16H2,1-2H3;1-2H3
InChIKeyVZMNDSYYKPJWRS-UHFFFAOYSA-N
XLogP5.02
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.57
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-4-methylsulfanylbutan-1-ol
CID 131949225
N-(1-methoxybutan-2-yl)-1-phenylpiperidin-4-amine
CID 103778420
(2S)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol
CID 93026650
1-[4-(1-hydroxybutan-2-ylamino)piperidin-1-yl]ethanone
CID 43222767
(2S)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)butan-1-ol;hydrochloride
CID 91662998
N-hex-5-yn-3-yl-1-phenylpiperidin-4-amine
CID 103786007
ethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate
CID 104980485
1-(2-fluorophenyl)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]piperidin-4-amine
CID 95194053
(2S)-2-(cyclooctylamino)butan-1-ol
CID 28723227
6-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol
CID 56859983
2-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol
CID 43634759
3-carbazol-9-yl-2-(cyclopropylamino)propan-1-ol
CID 64810696

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[1-(2-methyl-3-phenylphenyl)piperidin-4-yl]amino]butan-1-ol?
The IUPAC name of ethane;2-[[1-(2-methyl-3-phenylphenyl)piperidin-4-yl]amino]butan-1-ol (CID 145408547) is ethane;2-[[1-(2-methyl-3-phenylphenyl)piperidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for ethane;2-[[1-(2-methyl-3-phenylphenyl)piperidin-4-yl]amino]butan-1-ol?
The canonical SMILES for ethane;2-[[1-(2-methyl-3-phenylphenyl)piperidin-4-yl]amino]butan-1-ol is CC.CCC(CO)NC1CCN(c2cccc(-c3ccccc3)c2C)CC1.
What is the InChIKey of ethane;2-[[1-(2-methyl-3-phenylphenyl)piperidin-4-yl]amino]butan-1-ol?
The InChIKey is VZMNDSYYKPJWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O.C2H6/c1-3-19(16-25)23-20-12-14-24(15-13-20)22-11-7-10-21(17(22)2)18-8-5-4-6-9-18;1-2/h4-11,19-20,23,25H,3,12-16H2,1-2H3;1-2H3.
What are the key properties of ethane;2-[[1-(2-methyl-3-phenylphenyl)piperidin-4-yl]amino]butan-1-ol?
ethane;2-[[1-(2-methyl-3-phenylphenyl)piperidin-4-yl]amino]butan-1-ol has a molecular weight of 368.57 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[1-(2-methyl-3-phenylphenyl)piperidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 145408547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).