1-tert-butyl-N-(cyclohexylmethyl)piperidin-4-amine

C16H32N2 — CID 54866613

IUPAC1-tert-butyl-N-(cyclohexylmethyl)piperidin-4-amine
SMILESCC(C)(C)N1CCC(NCC2CCCCC2)CC1
InChIInChI=1S/C16H32N2/c1-16(2,3)18-11-9-15(10-12-18)17-13-14-7-5-4-6-8-14/h14-15,17H,4-13H2,1-3H3
InChIKeyWSJXKIFVVXVGNC-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds3

About 1-tert-butyl-N-(cyclohexylmethyl)piperidin-4-amine

1-tert-butyl-N-(cyclohexylmethyl)piperidin-4-amine (PubChem CID 54866613) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-tert-butyl-N-(cyclohexylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(cyclohexylmethyl)piperidin-4-amine
PubChem CID54866613
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-tert-butyl-N-(cyclohexylmethyl)piperidin-4-amine
SMILESCC(C)(C)N1CCC(NCC2CCCCC2)CC1
InChIInChI=1S/C16H32N2/c1-16(2,3)18-11-9-15(10-12-18)17-13-14-7-5-4-6-8-14/h14-15,17H,4-13H2,1-3H3
InChIKeyWSJXKIFVVXVGNC-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(cyclohexylmethyl)piperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-(cyclohexylmethyl)piperidin-4-amine (CID 54866613) is 1-tert-butyl-N-(cyclohexylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-(cyclohexylmethyl)piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-(cyclohexylmethyl)piperidin-4-amine is CC(C)(C)N1CCC(NCC2CCCCC2)CC1.
What is the InChIKey of 1-tert-butyl-N-(cyclohexylmethyl)piperidin-4-amine?
The InChIKey is WSJXKIFVVXVGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-16(2,3)18-11-9-15(10-12-18)17-13-14-7-5-4-6-8-14/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 1-tert-butyl-N-(cyclohexylmethyl)piperidin-4-amine?
1-tert-butyl-N-(cyclohexylmethyl)piperidin-4-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(cyclohexylmethyl)piperidin-4-amine is sourced from PubChem (CID 54866613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).