1-[2-[phenyl(piperidin-1-yl)methyl]phenyl]ethanamine

C20H26N2 — CID 67763745

IUPAC1-[2-[phenyl(piperidin-1-yl)methyl]phenyl]ethanamine
SMILESCC(N)c1ccccc1C(c1ccccc1)N1CCCCC1
InChIInChI=1S/C20H26N2/c1-16(21)18-12-6-7-13-19(18)20(17-10-4-2-5-11-17)22-14-8-3-9-15-22/h2,4-7,10-13,16,20H,3,8-9,14-15,21H2,1H3
InChIKeyMCHVNDFADFWBGS-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.28
Rot. Bonds4

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

1-[2-[phenyl(piperidin-1-yl)methyl]phenyl]ethanamine (PubChem CID 67763745) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[2-[phenyl(piperidin-1-yl)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-[phenyl(piperidin-1-yl)methyl]phenyl]ethanamine
PubChem CID67763745
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name1-[2-[phenyl(piperidin-1-yl)methyl]phenyl]ethanamine
SMILESCC(N)c1ccccc1C(c1ccccc1)N1CCCCC1
InChIInChI=1S/C20H26N2/c1-16(21)18-12-6-7-13-19(18)20(17-10-4-2-5-11-17)22-14-8-3-9-15-22/h2,4-7,10-13,16,20H,3,8-9,14-15,21H2,1H3
InChIKeyMCHVNDFADFWBGS-UHFFFAOYSA-N
XLogP4.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzhydrylpiperazin-1-yl)ethanamine
CID 68974612
(2S)-2-phenyl-1-pyrrolidin-1-ylpropan-1-amine
CID 67673166
1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362
(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
CID 28801549
4-methyl-2-[phenyl(piperidin-1-yl)methyl]phenol
CID 3843964
1-[(4-bromophenyl)-phenylmethyl]pyrrolidine
CID 53217465
1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane
CID 164924895
1-[(S)-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]azetidine
CID 146169205
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
1-benzhydrylpiperidin-4-amine;cyclobutane
CID 18425735
propan-2-yl 2-phenyl-2-piperidin-1-ylacetate
CID 85412876
1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine
CID 140569426

Frequently Asked Questions

What is the IUPAC name of 1-[2-[phenyl(piperidin-1-yl)methyl]phenyl]ethanamine?
The IUPAC name of 1-[2-[phenyl(piperidin-1-yl)methyl]phenyl]ethanamine (CID 67763745) is 1-[2-[phenyl(piperidin-1-yl)methyl]phenyl]ethanamine.
What is the SMILES notation for 1-[2-[phenyl(piperidin-1-yl)methyl]phenyl]ethanamine?
The canonical SMILES for 1-[2-[phenyl(piperidin-1-yl)methyl]phenyl]ethanamine is CC(N)c1ccccc1C(c1ccccc1)N1CCCCC1.
What is the InChIKey of 1-[2-[phenyl(piperidin-1-yl)methyl]phenyl]ethanamine?
The InChIKey is MCHVNDFADFWBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-16(21)18-12-6-7-13-19(18)20(17-10-4-2-5-11-17)22-14-8-3-9-15-22/h2,4-7,10-13,16,20H,3,8-9,14-15,21H2,1H3.
What are the key properties of 1-[2-[phenyl(piperidin-1-yl)methyl]phenyl]ethanamine?
1-[2-[phenyl(piperidin-1-yl)methyl]phenyl]ethanamine has a molecular weight of 294.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[phenyl(piperidin-1-yl)methyl]phenyl]ethanamine is sourced from PubChem (CID 67763745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).