2-[4-[(4-propylphenyl)methyl]piperidin-1-yl]ethanamine

C17H28N2 — CID 116926581

IUPAC2-[4-[(4-propylphenyl)methyl]piperidin-1-yl]ethanamine
SMILESCCCc1ccc(CC2CCN(CCN)CC2)cc1
InChIInChI=1S/C17H28N2/c1-2-3-15-4-6-16(7-5-15)14-17-8-11-19(12-9-17)13-10-18/h4-7,17H,2-3,8-14,18H2,1H3
InChIKeyZYBGFYNBLZGHHM-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.85
Rot. Bonds6

About 2-[4-[(4-propylphenyl)methyl]piperidin-1-yl]ethanamine

2-[4-[(4-propylphenyl)methyl]piperidin-1-yl]ethanamine (PubChem CID 116926581) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-[4-[(4-propylphenyl)methyl]piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(4-propylphenyl)methyl]piperidin-1-yl]ethanamine
PubChem CID116926581
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-[4-[(4-propylphenyl)methyl]piperidin-1-yl]ethanamine
SMILESCCCc1ccc(CC2CCN(CCN)CC2)cc1
InChIInChI=1S/C17H28N2/c1-2-3-15-4-6-16(7-5-15)14-17-8-11-19(12-9-17)13-10-18/h4-7,17H,2-3,8-14,18H2,1H3
InChIKeyZYBGFYNBLZGHHM-UHFFFAOYSA-N
XLogP2.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(4-bromophenyl)methyl]piperidin-1-yl]ethanamine
CID 116926572
2-[4-(4-ethylphenyl)piperidin-1-yl]ethanamine
CID 82128932
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine
CID 53211570
2-(4-ethylpiperidin-1-yl)-1-(4-propylphenyl)ethanamine
CID 61421149
1-[2-(4-dodecylphenyl)ethyl]piperidin-4-amine
CID 72735441
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylethanamine
CID 115214538
2-[4-(1H-pyrrol-2-ylmethyl)piperidin-1-yl]ethanamine
CID 116926592
1-methyl-4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]piperazine
CID 117485780
1-but-3-ynyl-4-[(4-chlorophenyl)methyl]piperidine
CID 10682872
1-(cyclopropylmethyl)-4-[(4-propylphenyl)methyl]piperazine
CID 163258700
1-[1-(2-aminoethyl)piperidin-4-yl]-N-methylbutan-1-amine
CID 116952523
2-(4-methylpiperidin-1-yl)ethanamine;propane
CID 142306647

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-propylphenyl)methyl]piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-[(4-propylphenyl)methyl]piperidin-1-yl]ethanamine (CID 116926581) is 2-[4-[(4-propylphenyl)methyl]piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[(4-propylphenyl)methyl]piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[(4-propylphenyl)methyl]piperidin-1-yl]ethanamine is CCCc1ccc(CC2CCN(CCN)CC2)cc1.
What is the InChIKey of 2-[4-[(4-propylphenyl)methyl]piperidin-1-yl]ethanamine?
The InChIKey is ZYBGFYNBLZGHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-3-15-4-6-16(7-5-15)14-17-8-11-19(12-9-17)13-10-18/h4-7,17H,2-3,8-14,18H2,1H3.
What are the key properties of 2-[4-[(4-propylphenyl)methyl]piperidin-1-yl]ethanamine?
2-[4-[(4-propylphenyl)methyl]piperidin-1-yl]ethanamine has a molecular weight of 260.43 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-propylphenyl)methyl]piperidin-1-yl]ethanamine is sourced from PubChem (CID 116926581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).