1-benzyl-4-(phenoxymethyl)piperidine

C19H23NO — CID 18919890

IUPAC1-benzyl-4-(phenoxymethyl)piperidine
SMILESc1ccc(CN2CCC(COc3ccccc3)CC2)cc1
InChIInChI=1S/C19H23NO/c1-3-7-17(8-4-1)15-20-13-11-18(12-14-20)16-21-19-9-5-2-6-10-19/h1-10,18H,11-16H2
InChIKeyYKZZYKLRWFEQFV-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.98
Rot. Bonds5

About 1-benzyl-4-(phenoxymethyl)piperidine

1-benzyl-4-(phenoxymethyl)piperidine (PubChem CID 18919890) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-benzyl-4-(phenoxymethyl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(phenoxymethyl)piperidine
PubChem CID18919890
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-benzyl-4-(phenoxymethyl)piperidine
SMILESc1ccc(CN2CCC(COc3ccccc3)CC2)cc1
InChIInChI=1S/C19H23NO/c1-3-7-17(8-4-1)15-20-13-11-18(12-14-20)16-21-19-9-5-2-6-10-19/h1-10,18H,11-16H2
InChIKeyYKZZYKLRWFEQFV-UHFFFAOYSA-N
XLogP3.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-(phenoxymethyl)piperidine
CID 91434819
cyclopropylmethoxybenzene
CID 12712156
1-(1-benzylpiperidin-4-yl)-2-phenoxyethanol
CID 59280139
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120842554
N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922484
cyclohexylmethoxybenzene
CID 14399287
4-[(4-chlorophenoxy)methyl]-1-(cyclopropylmethyl)piperidine
CID 10381019
4-[[4-[(4-propan-2-ylphenoxy)methyl]piperidin-1-yl]methyl]pyridine
CID 59734548
(3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120833880
4-[(1-benzylazetidin-3-yl)methoxy]benzonitrile
CID 141369171
2-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyridine
CID 146123829

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(phenoxymethyl)piperidine?
The IUPAC name of 1-benzyl-4-(phenoxymethyl)piperidine (CID 18919890) is 1-benzyl-4-(phenoxymethyl)piperidine.
What is the SMILES notation for 1-benzyl-4-(phenoxymethyl)piperidine?
The canonical SMILES for 1-benzyl-4-(phenoxymethyl)piperidine is c1ccc(CN2CCC(COc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(phenoxymethyl)piperidine?
The InChIKey is YKZZYKLRWFEQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-7-17(8-4-1)15-20-13-11-18(12-14-20)16-21-19-9-5-2-6-10-19/h1-10,18H,11-16H2.
What are the key properties of 1-benzyl-4-(phenoxymethyl)piperidine?
1-benzyl-4-(phenoxymethyl)piperidine has a molecular weight of 281.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(phenoxymethyl)piperidine is sourced from PubChem (CID 18919890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).