N-benzyl-N-(2-piperidin-4-ylethyl)propan-2-amine

C17H28N2 — CID 54911022

IUPACN-benzyl-N-(2-piperidin-4-ylethyl)propan-2-amine
SMILESCC(C)N(CCC1CCNCC1)Cc1ccccc1
InChIInChI=1S/C17H28N2/c1-15(2)19(14-17-6-4-3-5-7-17)13-10-16-8-11-18-12-9-16/h3-7,15-16,18H,8-14H2,1-2H3
InChIKeyRBCOAPNNCZCRDS-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.29
Rot. Bonds6

About N-benzyl-N-(2-piperidin-4-ylethyl)propan-2-amine

N-benzyl-N-(2-piperidin-4-ylethyl)propan-2-amine (PubChem CID 54911022) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-benzyl-N-(2-piperidin-4-ylethyl)propan-2-amine.

Molecular Properties

Compound NameN-benzyl-N-(2-piperidin-4-ylethyl)propan-2-amine
PubChem CID54911022
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-benzyl-N-(2-piperidin-4-ylethyl)propan-2-amine
SMILESCC(C)N(CCC1CCNCC1)Cc1ccccc1
InChIInChI=1S/C17H28N2/c1-15(2)19(14-17-6-4-3-5-7-17)13-10-16-8-11-18-12-9-16/h3-7,15-16,18H,8-14H2,1-2H3
InChIKeyRBCOAPNNCZCRDS-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-piperidin-4-ylethyl)propan-2-amine?
The IUPAC name of N-benzyl-N-(2-piperidin-4-ylethyl)propan-2-amine (CID 54911022) is N-benzyl-N-(2-piperidin-4-ylethyl)propan-2-amine.
What is the SMILES notation for N-benzyl-N-(2-piperidin-4-ylethyl)propan-2-amine?
The canonical SMILES for N-benzyl-N-(2-piperidin-4-ylethyl)propan-2-amine is CC(C)N(CCC1CCNCC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-piperidin-4-ylethyl)propan-2-amine?
The InChIKey is RBCOAPNNCZCRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-15(2)19(14-17-6-4-3-5-7-17)13-10-16-8-11-18-12-9-16/h3-7,15-16,18H,8-14H2,1-2H3.
What are the key properties of N-benzyl-N-(2-piperidin-4-ylethyl)propan-2-amine?
N-benzyl-N-(2-piperidin-4-ylethyl)propan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-piperidin-4-ylethyl)propan-2-amine is sourced from PubChem (CID 54911022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).