1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine

C15H30N2O — CID 62386509

IUPAC1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine
SMILESCCCCN1CCC(NCC2CCOCC2)CC1
InChIInChI=1S/C15H30N2O/c1-2-3-8-17-9-4-15(5-10-17)16-13-14-6-11-18-12-7-14/h14-16H,2-13H2,1H3
InChIKeyROCCZWAJPHGVNE-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds6

About 1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine

1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine (PubChem CID 62386509) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine
PubChem CID62386509
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine
SMILESCCCCN1CCC(NCC2CCOCC2)CC1
InChIInChI=1S/C15H30N2O/c1-2-3-8-17-9-4-15(5-10-17)16-13-14-6-11-18-12-7-14/h14-16H,2-13H2,1H3
InChIKeyROCCZWAJPHGVNE-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-1-hexylpiperidin-4-amine
CID 91201253
1-butyl-N-ethylpiperidin-4-amine
CID 43314967
N-(cyclopropylmethyl)-1-[2-(oxolan-3-yl)ethyl]piperidin-4-amine
CID 120841561
N-(oxan-4-ylmethyl)-1-prop-2-ynylpiperidin-4-amine
CID 63727151
N-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine
CID 60855683
N-ethyl-1-pentylpiperidin-4-amine
CID 43315098
1-butyl-N-(pyrrolidin-2-ylmethyl)piperidin-4-amine
CID 106637748
N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen
CID 143678489
1-butyl-N-(2,2-dimethylpropyl)piperidin-4-amine
CID 61325567
4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol
CID 115307344
1-dodecyl-N-ethylpiperidin-4-amine
CID 63400728
1-(3-butoxypropyl)-N-ethylpiperidin-4-amine
CID 113481126

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine (CID 62386509) is 1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine is CCCCN1CCC(NCC2CCOCC2)CC1.
What is the InChIKey of 1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine?
The InChIKey is ROCCZWAJPHGVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-2-3-8-17-9-4-15(5-10-17)16-13-14-6-11-18-12-7-14/h14-16H,2-13H2,1H3.
What are the key properties of 1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine?
1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 62386509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).