1-butyl-4-(cyclobutyloxymethyl)piperidine;molecular hydrogen;propan-2-amine

C17H38N2O — CID 155750753

IUPAC1-butyl-4-(cyclobutyloxymethyl)piperidine;molecular hydrogen;propan-2-amine
SMILESCC(C)N.CCCCN1CCC(COC2CCC2)CC1.[H][H]
InChIInChI=1S/C14H27NO.C3H9N.H2/c1-2-3-9-15-10-7-13(8-11-15)12-16-14-5-4-6-14;1-3(2)4;/h13-14H,2-12H2,1H3;3H,4H2,1-2H3;1H
InChIKeyPXHHEIZFMASLBN-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.67
Rot. Bonds6

About 1-butyl-4-(cyclobutyloxymethyl)piperidine;molecular hydrogen;propan-2-amine

1-butyl-4-(cyclobutyloxymethyl)piperidine;molecular hydrogen;propan-2-amine (PubChem CID 155750753) has the molecular formula C17H38N2O and a molecular weight of 286.50 g/mol. Its IUPAC name is 1-butyl-4-(cyclobutyloxymethyl)piperidine;molecular hydrogen;propan-2-amine.

Molecular Properties

Compound Name1-butyl-4-(cyclobutyloxymethyl)piperidine;molecular hydrogen;propan-2-amine
PubChem CID155750753
Molecular FormulaC17H38N2O
Molecular Weight286.50 g/mol
Exact Mass286.30
IUPAC Name1-butyl-4-(cyclobutyloxymethyl)piperidine;molecular hydrogen;propan-2-amine
SMILESCC(C)N.CCCCN1CCC(COC2CCC2)CC1.[H][H]
InChIInChI=1S/C14H27NO.C3H9N.H2/c1-2-3-9-15-10-7-13(8-11-15)12-16-14-5-4-6-14;1-3(2)4;/h13-14H,2-12H2,1H3;3H,4H2,1-2H3;1H
InChIKeyPXHHEIZFMASLBN-UHFFFAOYSA-N
XLogP3.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine
CID 167191940
N-[(1-heptylpiperidin-4-yl)methyl]propan-2-amine
CID 62591501
1-methyl-4-[(1-propylpiperidin-4-yl)oxymethyl]piperidine
CID 155750999
1-hexyl-4-(2-methylpropyl)piperidine
CID 157305841
1-butyl-4-(3-methylbutyl)piperidine
CID 167107380
N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen
CID 143678489
1-hexylpyrrolidine;propan-2-amine
CID 166169325
1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane
CID 163400134
1-(1-hexylpiperidin-4-yl)ethanamine
CID 63595820
4-butoxy-1-(5-methylhexyl)piperidine
CID 156530555
1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine
CID 163400543
1-decyl-4-propan-2-ylpiperidine
CID 166461232

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(cyclobutyloxymethyl)piperidine;molecular hydrogen;propan-2-amine?
The IUPAC name of 1-butyl-4-(cyclobutyloxymethyl)piperidine;molecular hydrogen;propan-2-amine (CID 155750753) is 1-butyl-4-(cyclobutyloxymethyl)piperidine;molecular hydrogen;propan-2-amine.
What is the SMILES notation for 1-butyl-4-(cyclobutyloxymethyl)piperidine;molecular hydrogen;propan-2-amine?
The canonical SMILES for 1-butyl-4-(cyclobutyloxymethyl)piperidine;molecular hydrogen;propan-2-amine is CC(C)N.CCCCN1CCC(COC2CCC2)CC1.[H][H].
What is the InChIKey of 1-butyl-4-(cyclobutyloxymethyl)piperidine;molecular hydrogen;propan-2-amine?
The InChIKey is PXHHEIZFMASLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO.C3H9N.H2/c1-2-3-9-15-10-7-13(8-11-15)12-16-14-5-4-6-14;1-3(2)4;/h13-14H,2-12H2,1H3;3H,4H2,1-2H3;1H.
What are the key properties of 1-butyl-4-(cyclobutyloxymethyl)piperidine;molecular hydrogen;propan-2-amine?
1-butyl-4-(cyclobutyloxymethyl)piperidine;molecular hydrogen;propan-2-amine has a molecular weight of 286.50 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(cyclobutyloxymethyl)piperidine;molecular hydrogen;propan-2-amine is sourced from PubChem (CID 155750753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).