(3R,4R)-4-cyclopropyl-1-[(3-ethenylphenyl)methyl]-3-methylpiperidin-4-ol

C18H25NO — CID 72900225

IUPAC(3R,4R)-4-cyclopropyl-1-[(3-ethenylphenyl)methyl]-3-methylpiperidin-4-ol
SMILESC=Cc1cccc(CN2CC[C@@](O)(C3CC3)[C@H](C)C2)c1
InChIInChI=1S/C18H25NO/c1-3-15-5-4-6-16(11-15)13-19-10-9-18(20,14(2)12-19)17-7-8-17/h3-6,11,14,17,20H,1,7-10,12-13H2,2H3/t14-,18+/m1/s1
InChIKeyMJWCOMJHRMEMOO-KDOFPFPSSA-N
MW271.40 g/mol
LogP3.31
Rot. Bonds4

About (3R,4R)-4-cyclopropyl-1-[(3-ethenylphenyl)methyl]-3-methylpiperidin-4-ol

(3R,4R)-4-cyclopropyl-1-[(3-ethenylphenyl)methyl]-3-methylpiperidin-4-ol (PubChem CID 72900225) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (3R,4R)-4-cyclopropyl-1-[(3-ethenylphenyl)methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-4-cyclopropyl-1-[(3-ethenylphenyl)methyl]-3-methylpiperidin-4-ol
PubChem CID72900225
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(3R,4R)-4-cyclopropyl-1-[(3-ethenylphenyl)methyl]-3-methylpiperidin-4-ol
SMILESC=Cc1cccc(CN2CC[C@@](O)(C3CC3)[C@H](C)C2)c1
InChIInChI=1S/C18H25NO/c1-3-15-5-4-6-16(11-15)13-19-10-9-18(20,14(2)12-19)17-7-8-17/h3-6,11,14,17,20H,1,7-10,12-13H2,2H3/t14-,18+/m1/s1
InChIKeyMJWCOMJHRMEMOO-KDOFPFPSSA-N
XLogP3.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-3-ylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 156603731
(3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol
CID 70717089
1-[4-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 72868869
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol
CID 72847808
(3R,4R)-4-cyclobutyl-3-methyl-1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol
CID 72888147
N'-[[1-[(3-ethenylphenyl)methyl]piperidin-3-yl]methyl]oxamide
CID 56714508
(3R,4R)-4-cyclopropyl-3-methyl-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-4-ol
CID 72877253
3-[(3-ethenylphenyl)methyl]-7-[(3-methylphenyl)methyl]-1,5,3,7-dithiadiazocane
CID 145346175
1-benzyl-3-methyl-4-phenylpiperidin-4-ol
CID 3829784
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-(2-phenylmethoxyethyl)piperidin-4-ol
CID 72869524
1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol
CID 19095619
2-[(3-chlorophenyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81114973

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclopropyl-1-[(3-ethenylphenyl)methyl]-3-methylpiperidin-4-ol?
The IUPAC name of (3R,4R)-4-cyclopropyl-1-[(3-ethenylphenyl)methyl]-3-methylpiperidin-4-ol (CID 72900225) is (3R,4R)-4-cyclopropyl-1-[(3-ethenylphenyl)methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-4-cyclopropyl-1-[(3-ethenylphenyl)methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-4-cyclopropyl-1-[(3-ethenylphenyl)methyl]-3-methylpiperidin-4-ol is C=Cc1cccc(CN2CC[C@@](O)(C3CC3)[C@H](C)C2)c1.
What is the InChIKey of (3R,4R)-4-cyclopropyl-1-[(3-ethenylphenyl)methyl]-3-methylpiperidin-4-ol?
The InChIKey is MJWCOMJHRMEMOO-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-15-5-4-6-16(11-15)13-19-10-9-18(20,14(2)12-19)17-7-8-17/h3-6,11,14,17,20H,1,7-10,12-13H2,2H3/t14-,18+/m1/s1.
What are the key properties of (3R,4R)-4-cyclopropyl-1-[(3-ethenylphenyl)methyl]-3-methylpiperidin-4-ol?
(3R,4R)-4-cyclopropyl-1-[(3-ethenylphenyl)methyl]-3-methylpiperidin-4-ol has a molecular weight of 271.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclopropyl-1-[(3-ethenylphenyl)methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 72900225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).