1-chloro-3-[(4-phenylphenoxy)methyl]piperidine

C18H20ClNO — CID 87276184

IUPAC1-chloro-3-[(4-phenylphenoxy)methyl]piperidine
SMILESClN1CCCC(COc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C18H20ClNO/c19-20-12-4-5-15(13-20)14-21-18-10-8-17(9-11-18)16-6-2-1-3-7-16/h1-3,6-11,15H,4-5,12-14H2
InChIKeyGMNWTCJNTOQDDD-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.60
Rot. Bonds4

About 1-chloro-3-[(4-phenylphenoxy)methyl]piperidine

1-chloro-3-[(4-phenylphenoxy)methyl]piperidine (PubChem CID 87276184) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-chloro-3-[(4-phenylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name1-chloro-3-[(4-phenylphenoxy)methyl]piperidine
PubChem CID87276184
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name1-chloro-3-[(4-phenylphenoxy)methyl]piperidine
SMILESClN1CCCC(COc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C18H20ClNO/c19-20-12-4-5-15(13-20)14-21-18-10-8-17(9-11-18)16-6-2-1-3-7-16/h1-3,6-11,15H,4-5,12-14H2
InChIKeyGMNWTCJNTOQDDD-UHFFFAOYSA-N
XLogP4.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexylmethoxy)-4-phenylbenzene
CID 59950067
(3S)-3-[(4-phenylphenoxy)methyl]piperidine
CID 42427138
1-methyl-3-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]piperidine
CID 134126084
3-[(4-phenylphenoxy)methyl]oxetane
CID 116820148
4-[4-(cyclopentylmethoxy)phenyl]benzonitrile
CID 10039177
cyclohexylmethoxybenzene
CID 14399287
1-[3-[(4-chlorophenoxy)methyl]piperidin-1-yl]-2-phenoxyethanone
CID 110638734
4-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenol
CID 165429310
2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 86972382
[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 95097695
1-pentyl-3-[(3-phenylphenoxy)methyl]piperidine
CID 54453009
4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine
CID 133308306

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(4-phenylphenoxy)methyl]piperidine?
The IUPAC name of 1-chloro-3-[(4-phenylphenoxy)methyl]piperidine (CID 87276184) is 1-chloro-3-[(4-phenylphenoxy)methyl]piperidine.
What is the SMILES notation for 1-chloro-3-[(4-phenylphenoxy)methyl]piperidine?
The canonical SMILES for 1-chloro-3-[(4-phenylphenoxy)methyl]piperidine is ClN1CCCC(COc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 1-chloro-3-[(4-phenylphenoxy)methyl]piperidine?
The InChIKey is GMNWTCJNTOQDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c19-20-12-4-5-15(13-20)14-21-18-10-8-17(9-11-18)16-6-2-1-3-7-16/h1-3,6-11,15H,4-5,12-14H2.
What are the key properties of 1-chloro-3-[(4-phenylphenoxy)methyl]piperidine?
1-chloro-3-[(4-phenylphenoxy)methyl]piperidine has a molecular weight of 301.82 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(4-phenylphenoxy)methyl]piperidine is sourced from PubChem (CID 87276184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).