(3R,4R)-4-(azepan-1-yl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol

C19H29FN2O2 — CID 26317541

IUPAC(3R,4R)-4-(azepan-1-yl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
SMILESCOc1ccc(CN2CC[C@@H](N3CCCCCC3)[C@H](O)C2)c(F)c1
InChIInChI=1S/C19H29FN2O2/c1-24-16-7-6-15(17(20)12-16)13-21-11-8-18(19(23)14-21)22-9-4-2-3-5-10-22/h6-7,12,18-19,23H,2-5,8-11,13-14H2,1H3/t18-,19-/m1/s1
InChIKeyWIYHIKZPDUAUDW-RTBURBONSA-N
MW336.45 g/mol
LogP2.65
Rot. Bonds4

About (3R,4R)-4-(azepan-1-yl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol

(3R,4R)-4-(azepan-1-yl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol (PubChem CID 26317541) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is (3R,4R)-4-(azepan-1-yl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(azepan-1-yl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
PubChem CID26317541
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC Name(3R,4R)-4-(azepan-1-yl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
SMILESCOc1ccc(CN2CC[C@@H](N3CCCCCC3)[C@H](O)C2)c(F)c1
InChIInChI=1S/C19H29FN2O2/c1-24-16-7-6-15(17(20)12-16)13-21-11-8-18(19(23)14-21)22-9-4-2-3-5-10-22/h6-7,12,18-19,23H,2-5,8-11,13-14H2,1H3/t18-,19-/m1/s1
InChIKeyWIYHIKZPDUAUDW-RTBURBONSA-N
XLogP2.65
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-4-(azepan-1-yl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol with MolForge

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Related Compounds

(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
methyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3-carboxylate
CID 102878542
(3R,4R)-4-(azepan-1-yl)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-ol
CID 45241751
4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 77089960
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 102877030
3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine
CID 102875920
(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882000
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 102877734
1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine
CID 22372485
1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 102877748
1-benzyl-4-piperidin-1-ylpiperidin-3-ol
CID 67311835
1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine
CID 102875898

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(azepan-1-yl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(azepan-1-yl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol (CID 26317541) is (3R,4R)-4-(azepan-1-yl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(azepan-1-yl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(azepan-1-yl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol is COc1ccc(CN2CC[C@@H](N3CCCCCC3)[C@H](O)C2)c(F)c1.
What is the InChIKey of (3R,4R)-4-(azepan-1-yl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol?
The InChIKey is WIYHIKZPDUAUDW-RTBURBONSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-24-16-7-6-15(17(20)12-16)13-21-11-8-18(19(23)14-21)22-9-4-2-3-5-10-22/h6-7,12,18-19,23H,2-5,8-11,13-14H2,1H3/t18-,19-/m1/s1.
What are the key properties of (3R,4R)-4-(azepan-1-yl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol?
(3R,4R)-4-(azepan-1-yl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol has a molecular weight of 336.45 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(azepan-1-yl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 26317541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).