[(3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-3-yl]methanol

C17H27NO2 — CID 30982517

IUPAC[(3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-3-yl]methanol
SMILESCOc1ccc(CC[C@H](C)N2CCC[C@@H](CO)C2)cc1
InChIInChI=1S/C17H27NO2/c1-14(18-11-3-4-16(12-18)13-19)5-6-15-7-9-17(20-2)10-8-15/h7-10,14,16,19H,3-6,11-13H2,1-2H3/t14-,16+/m0/s1
InChIKeyOZBWKDNYLWENKI-GOEBONIOSA-N
MW277.41 g/mol
LogP2.72
Rot. Bonds6

About [(3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-3-yl]methanol

[(3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-3-yl]methanol (PubChem CID 30982517) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [(3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-3-yl]methanol
PubChem CID30982517
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[(3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-3-yl]methanol
SMILESCOc1ccc(CC[C@H](C)N2CCC[C@@H](CO)C2)cc1
InChIInChI=1S/C17H27NO2/c1-14(18-11-3-4-16(12-18)13-19)5-6-15-7-9-17(20-2)10-8-15/h7-10,14,16,19H,3-6,11-13H2,1-2H3/t14-,16+/m0/s1
InChIKeyOZBWKDNYLWENKI-GOEBONIOSA-N
XLogP2.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(3-ethylpiperidin-1-yl)butyl]phenol
CID 82976975
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 54793850
[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 95165485
4-[4-(4-methoxyphenyl)butan-2-yl]morpholine
CID 2846261
1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 3298248
1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine
CID 2846364
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
CID 43775517
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol
CID 103857720
2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 107228031
[1-[2-amino-1-(2-methoxyphenyl)ethyl]piperidin-3-yl]methanol
CID 55022224
N-(2-methoxyethyl)-3-[1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]propanamide
CID 42557895

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-3-yl]methanol (CID 30982517) is [(3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-3-yl]methanol is COc1ccc(CC[C@H](C)N2CCC[C@@H](CO)C2)cc1.
What is the InChIKey of [(3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-3-yl]methanol?
The InChIKey is OZBWKDNYLWENKI-GOEBONIOSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14(18-11-3-4-16(12-18)13-19)5-6-15-7-9-17(20-2)10-8-15/h7-10,14,16,19H,3-6,11-13H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of [(3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-3-yl]methanol?
[(3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-3-yl]methanol has a molecular weight of 277.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 30982517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).