1-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine

C15H28N2O — CID 62064573

IUPAC1-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine
SMILESCCCCN1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C15H28N2O/c1-2-3-9-17-10-7-14(8-11-17)16-13-15-6-4-5-12-18-15/h5,12,14-16H,2-4,6-11,13H2,1H3
InChIKeyRBHRTFYDTJLMMB-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.53
Rot. Bonds6

About 1-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine

1-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine (PubChem CID 62064573) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine
PubChem CID62064573
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine
SMILESCCCCN1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C15H28N2O/c1-2-3-9-17-10-7-14(8-11-17)16-13-15-6-4-5-12-18-15/h5,12,14-16H,2-4,6-11,13H2,1H3
InChIKeyRBHRTFYDTJLMMB-UHFFFAOYSA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine (CID 62064573) is 1-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine is CCCCN1CCC(NCC2CCC=CO2)CC1.
What is the InChIKey of 1-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine?
The InChIKey is RBHRTFYDTJLMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-3-9-17-10-7-14(8-11-17)16-13-15-6-4-5-12-18-15/h5,12,14-16H,2-4,6-11,13H2,1H3.
What are the key properties of 1-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine?
1-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine has a molecular weight of 252.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 62064573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).