N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine

C16H26N2 — CID 21051144

IUPACN-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine
SMILESCCNCCCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-2-17-11-6-12-18-13-9-16(10-14-18)15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3
InChIKeyLUWRLWQPLHXVJG-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.87
Rot. Bonds6

About N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine

N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine (PubChem CID 21051144) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine
PubChem CID21051144
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine
SMILESCCNCCCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-2-17-11-6-12-18-13-9-16(10-14-18)15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3
InChIKeyLUWRLWQPLHXVJG-UHFFFAOYSA-N
XLogP2.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine
CID 55069158
1-(2-chloroethyl)-4-phenylpiperidine
CID 13195407
4-ethoxy-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 62560108
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine
CID 55069157
N-ethyl-2-methyl-3-(3-phenylpyrrolidin-1-yl)propan-1-amine
CID 62412984
N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
CID 168832226
6-(3-phenylpyrrolidin-1-yl)-N-propylhexan-2-amine
CID 62131389
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine
CID 28525953
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
ethanethiol;1-methyl-4-phenylpiperidine
CID 142821268
3,5-dimethyl-N-[3-(4-phenylpiperidin-1-yl)propyl]-1,2-oxazole-4-sulfonamide
CID 141081625

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine (CID 21051144) is N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine is CCNCCCN1CCC(c2ccccc2)CC1.
What is the InChIKey of N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine?
The InChIKey is LUWRLWQPLHXVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-17-11-6-12-18-13-9-16(10-14-18)15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3.
What are the key properties of N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine?
N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 21051144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).