(6R)-6-[(4-methoxyphenyl)methyl]-1,4-dimethylazepan-4-ol

C16H25NO2 — CID 10912354

IUPAC(6R)-6-[(4-methoxyphenyl)methyl]-1,4-dimethylazepan-4-ol
SMILESCOc1ccc(C[C@H]2CN(C)CCC(C)(O)C2)cc1
InChIInChI=1S/C16H25NO2/c1-16(18)8-9-17(2)12-14(11-16)10-13-4-6-15(19-3)7-5-13/h4-7,14,18H,8-12H2,1-3H3/t14-,16?/m1/s1
InChIKeyUXUYAHZYWZVLOI-IURRXHLWSA-N
MW263.38 g/mol
LogP2.33
Rot. Bonds3

About (6R)-6-[(4-methoxyphenyl)methyl]-1,4-dimethylazepan-4-ol

(6R)-6-[(4-methoxyphenyl)methyl]-1,4-dimethylazepan-4-ol (PubChem CID 10912354) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (6R)-6-[(4-methoxyphenyl)methyl]-1,4-dimethylazepan-4-ol.

Molecular Properties

Compound Name(6R)-6-[(4-methoxyphenyl)methyl]-1,4-dimethylazepan-4-ol
PubChem CID10912354
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(6R)-6-[(4-methoxyphenyl)methyl]-1,4-dimethylazepan-4-ol
SMILESCOc1ccc(C[C@H]2CN(C)CCC(C)(O)C2)cc1
InChIInChI=1S/C16H25NO2/c1-16(18)8-9-17(2)12-14(11-16)10-13-4-6-15(19-3)7-5-13/h4-7,14,18H,8-12H2,1-3H3/t14-,16?/m1/s1
InChIKeyUXUYAHZYWZVLOI-IURRXHLWSA-N
XLogP2.33
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

formic acid;(4-hydroxy-1-methylpiperidin-4-yl)-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 171711113
1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103728682
1-hydroxy-4-[(4-methoxyphenyl)methyl]piperidine
CID 122445485
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
3-[(4-methoxyphenyl)methyl]-1-methylpiperazine
CID 82286365
(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
CID 150264737
(1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 110912966
4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol
CID 110931792
(1S,4aS,8aS)-4a,8a-dihydroxy-1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carbaldehyde
CID 131978417
1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol
CID 115873746
3-[(4-methoxyphenyl)methyl]azetidine
CID 16780470
4-(4-benzylpiperidin-1-yl)-1-(4-methoxyphenyl)cyclohexan-1-ol
CID 15233109

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(4-methoxyphenyl)methyl]-1,4-dimethylazepan-4-ol?
The IUPAC name of (6R)-6-[(4-methoxyphenyl)methyl]-1,4-dimethylazepan-4-ol (CID 10912354) is (6R)-6-[(4-methoxyphenyl)methyl]-1,4-dimethylazepan-4-ol.
What is the SMILES notation for (6R)-6-[(4-methoxyphenyl)methyl]-1,4-dimethylazepan-4-ol?
The canonical SMILES for (6R)-6-[(4-methoxyphenyl)methyl]-1,4-dimethylazepan-4-ol is COc1ccc(C[C@H]2CN(C)CCC(C)(O)C2)cc1.
What is the InChIKey of (6R)-6-[(4-methoxyphenyl)methyl]-1,4-dimethylazepan-4-ol?
The InChIKey is UXUYAHZYWZVLOI-IURRXHLWSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(18)8-9-17(2)12-14(11-16)10-13-4-6-15(19-3)7-5-13/h4-7,14,18H,8-12H2,1-3H3/t14-,16?/m1/s1.
What are the key properties of (6R)-6-[(4-methoxyphenyl)methyl]-1,4-dimethylazepan-4-ol?
(6R)-6-[(4-methoxyphenyl)methyl]-1,4-dimethylazepan-4-ol has a molecular weight of 263.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(4-methoxyphenyl)methyl]-1,4-dimethylazepan-4-ol is sourced from PubChem (CID 10912354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).