N-benzyl-2-(4-propylpiperidin-2-yl)ethanamine

C17H28N2 — CID 143196342

IUPACN-benzyl-2-(4-propylpiperidin-2-yl)ethanamine
SMILESCCCC1CCNC(CCNCc2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-2-6-15-9-12-19-17(13-15)10-11-18-14-16-7-4-3-5-8-16/h3-5,7-8,15,17-19H,2,6,9-14H2,1H3
InChIKeyOHCFDBIFYDEUJH-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.33
Rot. Bonds7

About N-benzyl-2-(4-propylpiperidin-2-yl)ethanamine

N-benzyl-2-(4-propylpiperidin-2-yl)ethanamine (PubChem CID 143196342) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N-benzyl-2-(4-propylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(4-propylpiperidin-2-yl)ethanamine
PubChem CID143196342
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN-benzyl-2-(4-propylpiperidin-2-yl)ethanamine
SMILESCCCC1CCNC(CCNCc2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-2-6-15-9-12-19-17(13-15)10-11-18-14-16-7-4-3-5-8-16/h3-5,7-8,15,17-19H,2,6,9-14H2,1H3
InChIKeyOHCFDBIFYDEUJH-UHFFFAOYSA-N
XLogP3.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-piperidin-2-ylethanamine;1,3-difluoro-5-methylbenzene
CID 143196331
[4-(2-phenylethyl)piperidin-2-yl]methanol
CID 117000550
(2R,4R)-2,4-dibenzylpiperidine
CID 101092769
N-benzyl-2-[(1S,3S)-3-phenylcyclohexyl]ethanamine
CID 162671258
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine
CID 115210269
N-[(4-propylphenyl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210731
N-benzyl-4-cyclopropylbutan-1-amine
CID 165438994
N-benzylpropan-1-amine;ethane;propane
CID 145164103
(4-benzylpiperidin-2-yl)methanol
CID 91169099
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine
CID 131209291
N-benzyl-1-(3-methylpyrrolidin-2-yl)methanamine
CID 102775705

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-propylpiperidin-2-yl)ethanamine?
The IUPAC name of N-benzyl-2-(4-propylpiperidin-2-yl)ethanamine (CID 143196342) is N-benzyl-2-(4-propylpiperidin-2-yl)ethanamine.
What is the SMILES notation for N-benzyl-2-(4-propylpiperidin-2-yl)ethanamine?
The canonical SMILES for N-benzyl-2-(4-propylpiperidin-2-yl)ethanamine is CCCC1CCNC(CCNCc2ccccc2)C1.
What is the InChIKey of N-benzyl-2-(4-propylpiperidin-2-yl)ethanamine?
The InChIKey is OHCFDBIFYDEUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-6-15-9-12-19-17(13-15)10-11-18-14-16-7-4-3-5-8-16/h3-5,7-8,15,17-19H,2,6,9-14H2,1H3.
What are the key properties of N-benzyl-2-(4-propylpiperidin-2-yl)ethanamine?
N-benzyl-2-(4-propylpiperidin-2-yl)ethanamine has a molecular weight of 260.42 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-propylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 143196342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).