N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine

C17H28N2 — CID 53211570

IUPACN-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine
SMILESCCCNCCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-2-10-18-11-14-19-12-8-17(9-13-19)15-16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3
InChIKeyRUNWMAJIEPEFAO-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.94
Rot. Bonds7

About N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine

N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine (PubChem CID 53211570) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine
PubChem CID53211570
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine
SMILESCCCNCCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-2-10-18-11-14-19-12-8-17(9-13-19)15-16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3
InChIKeyRUNWMAJIEPEFAO-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.94
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

N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-2-amine
CID 53211384
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine
CID 67739617
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885
4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021
4-benzyl-1-(2-methylsulfanylethyl)piperidine
CID 112796308
3-benzyl-1-octylpyrrolidine
CID 58576677
4-benzyl-1-(4-methylpentyl)piperidine
CID 155778719
3-(4-benzylpiperidin-1-yl)propanehydrazide
CID 63572694
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
N-[2-(1,3-dihydroisoindol-2-yl)ethyl]propan-1-amine
CID 62204668

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine (CID 53211570) is N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine is CCCNCCN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine?
The InChIKey is RUNWMAJIEPEFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-10-18-11-14-19-12-8-17(9-13-19)15-16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine?
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 53211570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).