(3R)-1-[(3-methyl-4-propoxyphenyl)methyl]piperidin-3-ol

C16H25NO2 — CID 167875684

IUPAC(3R)-1-[(3-methyl-4-propoxyphenyl)methyl]piperidin-3-ol
SMILESCCCOc1ccc(CN2CCC[C@@H](O)C2)cc1C
InChIInChI=1S/C16H25NO2/c1-3-9-19-16-7-6-14(10-13(16)2)11-17-8-4-5-15(18)12-17/h6-7,10,15,18H,3-5,8-9,11-12H2,1-2H3/t15-/m1/s1
InChIKeyXSZJTOMGHIDIRY-OAHLLOKOSA-N
MW263.38 g/mol
LogP2.74
Rot. Bonds5

About (3R)-1-[(3-methyl-4-propoxyphenyl)methyl]piperidin-3-ol

(3R)-1-[(3-methyl-4-propoxyphenyl)methyl]piperidin-3-ol (PubChem CID 167875684) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (3R)-1-[(3-methyl-4-propoxyphenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(3-methyl-4-propoxyphenyl)methyl]piperidin-3-ol
PubChem CID167875684
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(3R)-1-[(3-methyl-4-propoxyphenyl)methyl]piperidin-3-ol
SMILESCCCOc1ccc(CN2CCC[C@@H](O)C2)cc1C
InChIInChI=1S/C16H25NO2/c1-3-9-19-16-7-6-14(10-13(16)2)11-17-8-4-5-15(18)12-17/h6-7,10,15,18H,3-5,8-9,11-12H2,1-2H3/t15-/m1/s1
InChIKeyXSZJTOMGHIDIRY-OAHLLOKOSA-N
XLogP2.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
N-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]azetidine-3-carboxamide
CID 167870587
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
(3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 107225998
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
4-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]-1,4-diazepan-5-one
CID 167768314
1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-ol
CID 111111498
(3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol
CID 107226173
1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
CID 6456310
1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol
CID 2838185
1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol
CID 127029872
1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol
CID 46739874

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-methyl-4-propoxyphenyl)methyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[(3-methyl-4-propoxyphenyl)methyl]piperidin-3-ol (CID 167875684) is (3R)-1-[(3-methyl-4-propoxyphenyl)methyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[(3-methyl-4-propoxyphenyl)methyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[(3-methyl-4-propoxyphenyl)methyl]piperidin-3-ol is CCCOc1ccc(CN2CCC[C@@H](O)C2)cc1C.
What is the InChIKey of (3R)-1-[(3-methyl-4-propoxyphenyl)methyl]piperidin-3-ol?
The InChIKey is XSZJTOMGHIDIRY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-9-19-16-7-6-14(10-13(16)2)11-17-8-4-5-15(18)12-17/h6-7,10,15,18H,3-5,8-9,11-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-1-[(3-methyl-4-propoxyphenyl)methyl]piperidin-3-ol?
(3R)-1-[(3-methyl-4-propoxyphenyl)methyl]piperidin-3-ol has a molecular weight of 263.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-methyl-4-propoxyphenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 167875684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).