N-heptan-4-yl-1-methylpiperidin-4-amine

C13H28N2 — CID 43373353

IUPACN-heptan-4-yl-1-methylpiperidin-4-amine
SMILESCCCC(CCC)NC1CCN(C)CC1
InChIInChI=1S/C13H28N2/c1-4-6-12(7-5-2)14-13-8-10-15(3)11-9-13/h12-14H,4-11H2,1-3H3
InChIKeyBEQFQLCGBTYCCK-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.64
Rot. Bonds6

About N-heptan-4-yl-1-methylpiperidin-4-amine

N-heptan-4-yl-1-methylpiperidin-4-amine (PubChem CID 43373353) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-heptan-4-yl-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-heptan-4-yl-1-methylpiperidin-4-amine
PubChem CID43373353
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-heptan-4-yl-1-methylpiperidin-4-amine
SMILESCCCC(CCC)NC1CCN(C)CC1
InChIInChI=1S/C13H28N2/c1-4-6-12(7-5-2)14-13-8-10-15(3)11-9-13/h12-14H,4-11H2,1-3H3
InChIKeyBEQFQLCGBTYCCK-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-1-methylpiperidin-4-amine?
The IUPAC name of N-heptan-4-yl-1-methylpiperidin-4-amine (CID 43373353) is N-heptan-4-yl-1-methylpiperidin-4-amine.
What is the SMILES notation for N-heptan-4-yl-1-methylpiperidin-4-amine?
The canonical SMILES for N-heptan-4-yl-1-methylpiperidin-4-amine is CCCC(CCC)NC1CCN(C)CC1.
What is the InChIKey of N-heptan-4-yl-1-methylpiperidin-4-amine?
The InChIKey is BEQFQLCGBTYCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-6-12(7-5-2)14-13-8-10-15(3)11-9-13/h12-14H,4-11H2,1-3H3.
What are the key properties of N-heptan-4-yl-1-methylpiperidin-4-amine?
N-heptan-4-yl-1-methylpiperidin-4-amine has a molecular weight of 212.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-1-methylpiperidin-4-amine is sourced from PubChem (CID 43373353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).