2-piperidin-3-yl-N-[(4-propylphenyl)methyl]ethanamine

C17H28N2 — CID 115211361

IUPAC2-piperidin-3-yl-N-[(4-propylphenyl)methyl]ethanamine
SMILESCCCc1ccc(CNCCC2CCCNC2)cc1
InChIInChI=1S/C17H28N2/c1-2-4-15-6-8-17(9-7-15)14-19-12-10-16-5-3-11-18-13-16/h6-9,16,18-19H,2-5,10-14H2,1H3
InChIKeyYPRXEYANXHFHCI-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.12
Rot. Bonds7

About 2-piperidin-3-yl-N-[(4-propylphenyl)methyl]ethanamine

2-piperidin-3-yl-N-[(4-propylphenyl)methyl]ethanamine (PubChem CID 115211361) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-piperidin-3-yl-N-[(4-propylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-piperidin-3-yl-N-[(4-propylphenyl)methyl]ethanamine
PubChem CID115211361
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-piperidin-3-yl-N-[(4-propylphenyl)methyl]ethanamine
SMILESCCCc1ccc(CNCCC2CCCNC2)cc1
InChIInChI=1S/C17H28N2/c1-2-4-15-6-8-17(9-7-15)14-19-12-10-16-5-3-11-18-13-16/h6-9,16,18-19H,2-5,10-14H2,1H3
InChIKeyYPRXEYANXHFHCI-UHFFFAOYSA-N
XLogP3.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.12
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-[(4-propylphenyl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210731
N-(2-piperidin-3-ylethyl)-4-propylaniline
CID 115211247
N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine
CID 94540790
N-[(3-bromo-4-methoxyphenyl)methyl]-2-piperidin-3-ylethanamine
CID 115211362
4-(2-piperidin-3-ylethyl)benzenethiol
CID 142937615
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-piperidin-3-ylethanamine
CID 115211376
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210749
N-[(4-piperidin-3-ylphenyl)methyl]ethanamine
CID 116988263
N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide
CID 61070409
N-[(4-propylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208236
N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 80553737
N-[(5-chloro-2-fluorophenyl)methyl]-2-piperidin-3-ylethanamine
CID 117044344

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-N-[(4-propylphenyl)methyl]ethanamine?
The IUPAC name of 2-piperidin-3-yl-N-[(4-propylphenyl)methyl]ethanamine (CID 115211361) is 2-piperidin-3-yl-N-[(4-propylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-piperidin-3-yl-N-[(4-propylphenyl)methyl]ethanamine?
The canonical SMILES for 2-piperidin-3-yl-N-[(4-propylphenyl)methyl]ethanamine is CCCc1ccc(CNCCC2CCCNC2)cc1.
What is the InChIKey of 2-piperidin-3-yl-N-[(4-propylphenyl)methyl]ethanamine?
The InChIKey is YPRXEYANXHFHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-4-15-6-8-17(9-7-15)14-19-12-10-16-5-3-11-18-13-16/h6-9,16,18-19H,2-5,10-14H2,1H3.
What are the key properties of 2-piperidin-3-yl-N-[(4-propylphenyl)methyl]ethanamine?
2-piperidin-3-yl-N-[(4-propylphenyl)methyl]ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-N-[(4-propylphenyl)methyl]ethanamine is sourced from PubChem (CID 115211361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).