3-[1-(cyclopropylmethyl)-4-[(1R)-1-hydroxypropyl]piperidin-4-yl]phenol

C18H27NO2 — CID 125493856

IUPAC3-[1-(cyclopropylmethyl)-4-[(1R)-1-hydroxypropyl]piperidin-4-yl]phenol
SMILESCC[C@@H](O)C1(c2cccc(O)c2)CCN(CC2CC2)CC1
InChIInChI=1S/C18H27NO2/c1-2-17(21)18(15-4-3-5-16(20)12-15)8-10-19(11-9-18)13-14-6-7-14/h3-5,12,14,17,20-21H,2,6-11,13H2,1H3/t17-/m1/s1
InChIKeySPCSPXRULOEXGT-QGZVFWFLSA-N
MW289.42 g/mol
LogP2.91
Rot. Bonds5

About 3-[1-(cyclopropylmethyl)-4-[(1R)-1-hydroxypropyl]piperidin-4-yl]phenol

3-[1-(cyclopropylmethyl)-4-[(1R)-1-hydroxypropyl]piperidin-4-yl]phenol (PubChem CID 125493856) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[1-(cyclopropylmethyl)-4-[(1R)-1-hydroxypropyl]piperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[1-(cyclopropylmethyl)-4-[(1R)-1-hydroxypropyl]piperidin-4-yl]phenol
PubChem CID125493856
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-[1-(cyclopropylmethyl)-4-[(1R)-1-hydroxypropyl]piperidin-4-yl]phenol
SMILESCC[C@@H](O)C1(c2cccc(O)c2)CCN(CC2CC2)CC1
InChIInChI=1S/C18H27NO2/c1-2-17(21)18(15-4-3-5-16(20)12-15)8-10-19(11-9-18)13-14-6-7-14/h3-5,12,14,17,20-21H,2,6-11,13H2,1H3/t17-/m1/s1
InChIKeySPCSPXRULOEXGT-QGZVFWFLSA-N
XLogP2.91
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(1S)-1-hydroxypropyl]-1-methylpiperidin-4-yl]phenol
CID 96588315
3-[2-(cyclopropylmethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-yl]phenol
CID 3966372
3-[3-(cyclopropylmethyl)-2,4,5,6,7,8,9,9a-octahydro-1H-benzo[d]azepin-5a-yl]phenol;hydrobromide
CID 173446342
3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol
CID 15670123
(4aS,8aR)-2-(cyclopropylmethyl)-8a-hydroxy-4a-(3-hydroxyphenyl)-1,3,4,5,7,8-hexahydroisoquinolin-6-one
CID 70338052
(6S)-2-(cyclopropylmethyl)-4a-(3-hydroxyphenyl)-6-(methylamino)-3,4,5,6,7,8-hexahydro-1H-isoquinolin-8a-ol
CID 70339229
(4aR,8aR)-2-(cyclobutylmethyl)-4a-(3-hydroxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-6-ol
CID 22818575
1-(cyclopropylmethyl)-4-phenylpiperidin-4-ol
CID 3064338
3-(6,7,8-trimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenol
CID 3045738
3-[2-(cyclobutylmethyl)-1,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepin-5a-yl]phenol;phosphoric acid
CID 21330537
3-[(4aS,8aS)-2-propyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-yl]phenol
CID 14020593
3-[2-(oxolan-3-ylmethyl)-1,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepin-5a-yl]phenol
CID 21330576

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopropylmethyl)-4-[(1R)-1-hydroxypropyl]piperidin-4-yl]phenol?
The IUPAC name of 3-[1-(cyclopropylmethyl)-4-[(1R)-1-hydroxypropyl]piperidin-4-yl]phenol (CID 125493856) is 3-[1-(cyclopropylmethyl)-4-[(1R)-1-hydroxypropyl]piperidin-4-yl]phenol.
What is the SMILES notation for 3-[1-(cyclopropylmethyl)-4-[(1R)-1-hydroxypropyl]piperidin-4-yl]phenol?
The canonical SMILES for 3-[1-(cyclopropylmethyl)-4-[(1R)-1-hydroxypropyl]piperidin-4-yl]phenol is CC[C@@H](O)C1(c2cccc(O)c2)CCN(CC2CC2)CC1.
What is the InChIKey of 3-[1-(cyclopropylmethyl)-4-[(1R)-1-hydroxypropyl]piperidin-4-yl]phenol?
The InChIKey is SPCSPXRULOEXGT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-17(21)18(15-4-3-5-16(20)12-15)8-10-19(11-9-18)13-14-6-7-14/h3-5,12,14,17,20-21H,2,6-11,13H2,1H3/t17-/m1/s1.
What are the key properties of 3-[1-(cyclopropylmethyl)-4-[(1R)-1-hydroxypropyl]piperidin-4-yl]phenol?
3-[1-(cyclopropylmethyl)-4-[(1R)-1-hydroxypropyl]piperidin-4-yl]phenol has a molecular weight of 289.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopropylmethyl)-4-[(1R)-1-hydroxypropyl]piperidin-4-yl]phenol is sourced from PubChem (CID 125493856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).