[(4S)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidin-4-yl]phosphane

C14H22NO2P — CID 166820358

IUPAC[(4S)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidin-4-yl]phosphane
SMILESCOc1ccc(OCC2CN(C)CC[C@@H]2P)cc1
InChIInChI=1S/C14H22NO2P/c1-15-8-7-14(18)11(9-15)10-17-13-5-3-12(16-2)4-6-13/h3-6,11,14H,7-10,18H2,1-2H3/t11?,14-/m0/s1
InChIKeyLMMUUOQDXQBDTH-IAXJKZSUSA-N
MW267.31 g/mol
LogP2.27
Rot. Bonds4

About [(4S)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidin-4-yl]phosphane

[(4S)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidin-4-yl]phosphane (PubChem CID 166820358) has the molecular formula C14H22NO2P and a molecular weight of 267.31 g/mol. Its IUPAC name is [(4S)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidin-4-yl]phosphane.

Molecular Properties

Compound Name[(4S)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidin-4-yl]phosphane
PubChem CID166820358
Molecular FormulaC14H22NO2P
Molecular Weight267.31 g/mol
Exact Mass267.14
IUPAC Name[(4S)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidin-4-yl]phosphane
SMILESCOc1ccc(OCC2CN(C)CC[C@@H]2P)cc1
InChIInChI=1S/C14H22NO2P/c1-15-8-7-14(18)11(9-15)10-17-13-5-3-12(16-2)4-6-13/h3-6,11,14H,7-10,18H2,1-2H3/t11?,14-/m0/s1
InChIKeyLMMUUOQDXQBDTH-IAXJKZSUSA-N
XLogP2.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(4S)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidin-4-yl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydroxybutanedioic acid;(3S,4R)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidine
CID 70401571
2,3-dihydroxybutanedioic acid;4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidine
CID 23319406
3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine
CID 23196644
1-methyl-4-[(4-methylphenoxy)methyl]piperidine
CID 123249578
(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
CID 150264737
1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine
CID 117052228
2-(4-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)acetic acid
CID 82383060
4-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenol
CID 165429310
3-[[4-(4-methoxyphenyl)phenoxy]methyl]-2-methylcyclohexan-1-one
CID 100936001
2-[(4-methoxyphenoxy)methyl]-N-methylcyclopropan-1-amine
CID 112547426
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 70753428
4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 23724366

Frequently Asked Questions

What is the IUPAC name of [(4S)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidin-4-yl]phosphane?
The IUPAC name of [(4S)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidin-4-yl]phosphane (CID 166820358) is [(4S)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidin-4-yl]phosphane.
What is the SMILES notation for [(4S)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidin-4-yl]phosphane?
The canonical SMILES for [(4S)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidin-4-yl]phosphane is COc1ccc(OCC2CN(C)CC[C@@H]2P)cc1.
What is the InChIKey of [(4S)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidin-4-yl]phosphane?
The InChIKey is LMMUUOQDXQBDTH-IAXJKZSUSA-N. The full InChI is InChI=1S/C14H22NO2P/c1-15-8-7-14(18)11(9-15)10-17-13-5-3-12(16-2)4-6-13/h3-6,11,14H,7-10,18H2,1-2H3/t11?,14-/m0/s1.
What are the key properties of [(4S)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidin-4-yl]phosphane?
[(4S)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidin-4-yl]phosphane has a molecular weight of 267.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidin-4-yl]phosphane is sourced from PubChem (CID 166820358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).