1-[phenylmethoxy(piperidin-1-yl)methyl]piperidine

C18H28N2O — CID 3477128

IUPAC1-[phenylmethoxy(piperidin-1-yl)methyl]piperidine
SMILESc1ccc(COC(N2CCCCC2)N2CCCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-4-10-17(11-5-1)16-21-18(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1,4-5,10-11,18H,2-3,6-9,12-16H2
InChIKeyFMEFUSGEEHBVAN-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.46
Rot. Bonds5

About 1-[phenylmethoxy(piperidin-1-yl)methyl]piperidine

1-[phenylmethoxy(piperidin-1-yl)methyl]piperidine (PubChem CID 3477128) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-[phenylmethoxy(piperidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[phenylmethoxy(piperidin-1-yl)methyl]piperidine
PubChem CID3477128
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-[phenylmethoxy(piperidin-1-yl)methyl]piperidine
SMILESc1ccc(COC(N2CCCCC2)N2CCCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-4-10-17(11-5-1)16-21-18(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1,4-5,10-11,18H,2-3,6-9,12-16H2
InChIKeyFMEFUSGEEHBVAN-UHFFFAOYSA-N
XLogP3.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenylmethoxy-1-pyrrolidin-1-ylpropan-2-ol
CID 67938820
(2S)-3-phenylmethoxy-2-piperidin-1-ylpropanoic acid;hydrate
CID 158256817
1-(1-phenylpropan-2-yl)piperidine
CID 11321650
2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine
CID 16642929
2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one
CID 14373623
[(2R,3R)-1,4-dibromo-3-phenylmethoxybutan-2-yl]oxymethylbenzene
CID 101207998
[(1R)-1-phenylmethoxyprop-2-ynyl]benzene
CID 177433534
1-(1-phenoxy-3-phenylpropyl)piperidine
CID 57051930
N-[4-(azepan-1-yl)phenyl]-2-phenylmethoxypropanamide
CID 55649917
cyclohexyl(phenylmethoxy)methanol
CID 54334195
benzyl piperidine-1-carboxylate
CID 158057698
1-[2-[[4-[1,3-di(piperidin-1-yl)propan-2-yloxymethyl]phenyl]methoxy]-3-piperidin-1-ylpropyl]piperidine
CID 14691986

Frequently Asked Questions

What is the IUPAC name of 1-[phenylmethoxy(piperidin-1-yl)methyl]piperidine?
The IUPAC name of 1-[phenylmethoxy(piperidin-1-yl)methyl]piperidine (CID 3477128) is 1-[phenylmethoxy(piperidin-1-yl)methyl]piperidine.
What is the SMILES notation for 1-[phenylmethoxy(piperidin-1-yl)methyl]piperidine?
The canonical SMILES for 1-[phenylmethoxy(piperidin-1-yl)methyl]piperidine is c1ccc(COC(N2CCCCC2)N2CCCCC2)cc1.
What is the InChIKey of 1-[phenylmethoxy(piperidin-1-yl)methyl]piperidine?
The InChIKey is FMEFUSGEEHBVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-10-17(11-5-1)16-21-18(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1,4-5,10-11,18H,2-3,6-9,12-16H2.
What are the key properties of 1-[phenylmethoxy(piperidin-1-yl)methyl]piperidine?
1-[phenylmethoxy(piperidin-1-yl)methyl]piperidine has a molecular weight of 288.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[phenylmethoxy(piperidin-1-yl)methyl]piperidine is sourced from PubChem (CID 3477128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).