N-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine

C17H28N2 — CID 59151326

IUPACN-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine
SMILESCCN(Cc1ccccc1)C1CCN(C(C)C)CC1
InChIInChI=1S/C17H28N2/c1-4-18(14-16-8-6-5-7-9-16)17-10-12-19(13-11-17)15(2)3/h5-9,15,17H,4,10-14H2,1-3H3
InChIKeyBAJCJDZHEVVQAL-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.38
Rot. Bonds5

About N-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine

N-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine (PubChem CID 59151326) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine
PubChem CID59151326
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine
SMILESCCN(Cc1ccccc1)C1CCN(C(C)C)CC1
InChIInChI=1S/C17H28N2/c1-4-18(14-16-8-6-5-7-9-16)17-10-12-19(13-11-17)15(2)3/h5-9,15,17H,4,10-14H2,1-3H3
InChIKeyBAJCJDZHEVVQAL-UHFFFAOYSA-N
XLogP3.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine
CID 71301853
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
N-ethyl-1-propan-2-yl-N-propylpiperidin-4-amine
CID 142371504
N-benzyl-N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 1329756
(3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66567005
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231293
N,N-dibenzylcyclobutanamine
CID 70822586
(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol
CID 155786495
N-benzyl-1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-ethylpiperidin-4-amine;hydrochloride
CID 163326605
2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid
CID 66567272

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine (CID 59151326) is N-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine is CCN(Cc1ccccc1)C1CCN(C(C)C)CC1.
What is the InChIKey of N-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine?
The InChIKey is BAJCJDZHEVVQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-18(14-16-8-6-5-7-9-16)17-10-12-19(13-11-17)15(2)3/h5-9,15,17H,4,10-14H2,1-3H3.
What are the key properties of N-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine?
N-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 59151326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).