[(1R,2S)-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide

C17H27N2O- — CID 87106761

IUPAC[(1R,2S)-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
SMILESC[N-][C@@H](c1ccccc1)[C@@H](C)CN1CCC(CO)CC1
InChIInChI=1S/C17H27N2O/c1-14(12-19-10-8-15(13-20)9-11-19)17(18-2)16-6-4-3-5-7-16/h3-7,14-15,17,20H,8-13H2,1-2H3/q-1/t14-,17+/m0/s1
InChIKeyHEGUZPRGQKPNDA-WMLDXEAASA-N
MW275.42 g/mol
LogP3.07
Rot. Bonds6

About [(1R,2S)-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide

[(1R,2S)-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide (PubChem CID 87106761) has the molecular formula C17H27N2O- and a molecular weight of 275.42 g/mol. Its IUPAC name is [(1R,2S)-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide.

Molecular Properties

Compound Name[(1R,2S)-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
PubChem CID87106761
Molecular FormulaC17H27N2O-
Molecular Weight275.42 g/mol
Exact Mass275.21
IUPAC Name[(1R,2S)-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
SMILESC[N-][C@@H](c1ccccc1)[C@@H](C)CN1CCC(CO)CC1
InChIInChI=1S/C17H27N2O/c1-14(12-19-10-8-15(13-20)9-11-19)17(18-2)16-6-4-3-5-7-16/h3-7,14-15,17,20H,8-13H2,1-2H3/q-1/t14-,17+/m0/s1
InChIKeyHEGUZPRGQKPNDA-WMLDXEAASA-N
XLogP3.07
TPSA37.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide
CID 87106535
[(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87107217
[1-(3-bromo-2-phenylpropyl)piperidin-4-yl]methanol
CID 65016137
methyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64567065
[(1R,2R)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87106744
[(1R,2R)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87107130
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1-phenylpropan-1-ol
CID 62617802
benzyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 106484236
1-[1-(3-amino-2-methyl-3-phenylpropyl)piperidin-4-yl]ethanol
CID 106837864
[(3R)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]methanol
CID 129425520
[1-[(2S)-2-aminopropyl]piperidin-4-yl]methanol
CID 22689432
3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoic acid
CID 43538757

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide?
The IUPAC name of [(1R,2S)-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide (CID 87106761) is [(1R,2S)-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide.
What is the SMILES notation for [(1R,2S)-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide?
The canonical SMILES for [(1R,2S)-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide is C[N-][C@@H](c1ccccc1)[C@@H](C)CN1CCC(CO)CC1.
What is the InChIKey of [(1R,2S)-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide?
The InChIKey is HEGUZPRGQKPNDA-WMLDXEAASA-N. The full InChI is InChI=1S/C17H27N2O/c1-14(12-19-10-8-15(13-20)9-11-19)17(18-2)16-6-4-3-5-7-16/h3-7,14-15,17,20H,8-13H2,1-2H3/q-1/t14-,17+/m0/s1.
What are the key properties of [(1R,2S)-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide?
[(1R,2S)-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide has a molecular weight of 275.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide is sourced from PubChem (CID 87106761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).