1-[1-(3-phenyloxetan-3-yl)butyl]piperidine

C18H27NO — CID 176959407

IUPAC1-[1-(3-phenyloxetan-3-yl)butyl]piperidine
SMILESCCCC(N1CCCCC1)C1(c2ccccc2)COC1
InChIInChI=1S/C18H27NO/c1-2-9-17(19-12-7-4-8-13-19)18(14-20-15-18)16-10-5-3-6-11-16/h3,5-6,10-11,17H,2,4,7-9,12-15H2,1H3
InChIKeyBFIHNHPDDXNTEJ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.61
Rot. Bonds5

About 1-[1-(3-phenyloxetan-3-yl)butyl]piperidine

1-[1-(3-phenyloxetan-3-yl)butyl]piperidine (PubChem CID 176959407) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[1-(3-phenyloxetan-3-yl)butyl]piperidine.

Molecular Properties

Compound Name1-[1-(3-phenyloxetan-3-yl)butyl]piperidine
PubChem CID176959407
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-[1-(3-phenyloxetan-3-yl)butyl]piperidine
SMILESCCCC(N1CCCCC1)C1(c2ccccc2)COC1
InChIInChI=1S/C18H27NO/c1-2-9-17(19-12-7-4-8-13-19)18(14-20-15-18)16-10-5-3-6-11-16/h3,5-6,10-11,17H,2,4,7-9,12-15H2,1H3
InChIKeyBFIHNHPDDXNTEJ-UHFFFAOYSA-N
XLogP3.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(4-phenyloxan-4-yl)pentan-1-ol
CID 107892891
1-(3-phenyloxetan-3-yl)piperidine
CID 141379975
1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine
CID 61010867
2-methylidene-3-(3-phenyloxetan-3-yl)pentanoic acid
CID 68619709
1-(1-phenylcyclohexyl)octan-1-amine
CID 63417810
1-(4-methyl-1-phenylhept-1-yn-3-yl)piperidine
CID 101406137
2-methyl-1-(1-phenylcyclopropyl)pentan-1-amine
CID 107893368
(2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide
CID 755199
N-[(3-methyloxetan-3-yl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 107234697
1-(4-phenyloxan-4-yl)pentan-1-ol
CID 63083062
1-(1-phenylcyclohexyl)pentan-1-ol
CID 55187170
1-hexan-2-yl-3-methyl-3-phenyl-1,4-diazepane
CID 64950353

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-phenyloxetan-3-yl)butyl]piperidine?
The IUPAC name of 1-[1-(3-phenyloxetan-3-yl)butyl]piperidine (CID 176959407) is 1-[1-(3-phenyloxetan-3-yl)butyl]piperidine.
What is the SMILES notation for 1-[1-(3-phenyloxetan-3-yl)butyl]piperidine?
The canonical SMILES for 1-[1-(3-phenyloxetan-3-yl)butyl]piperidine is CCCC(N1CCCCC1)C1(c2ccccc2)COC1.
What is the InChIKey of 1-[1-(3-phenyloxetan-3-yl)butyl]piperidine?
The InChIKey is BFIHNHPDDXNTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-9-17(19-12-7-4-8-13-19)18(14-20-15-18)16-10-5-3-6-11-16/h3,5-6,10-11,17H,2,4,7-9,12-15H2,1H3.
What are the key properties of 1-[1-(3-phenyloxetan-3-yl)butyl]piperidine?
1-[1-(3-phenyloxetan-3-yl)butyl]piperidine has a molecular weight of 273.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-phenyloxetan-3-yl)butyl]piperidine is sourced from PubChem (CID 176959407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).