(1S)-1-[4-(2-ethylpiperidin-1-yl)phenyl]propan-1-amine

C16H26N2 — CID 114066011

IUPAC(1S)-1-[4-(2-ethylpiperidin-1-yl)phenyl]propan-1-amine
SMILESCCC1CCCCN1c1ccc([C@@H](N)CC)cc1
InChIInChI=1S/C16H26N2/c1-3-14-7-5-6-12-18(14)15-10-8-13(9-11-15)16(17)4-2/h8-11,14,16H,3-7,12,17H2,1-2H3/t14?,16-/m0/s1
InChIKeyIWVYJCLZMRXJLG-WMCAAGNKSA-N
MW246.40 g/mol
LogP3.87
Rot. Bonds4

About (1S)-1-[4-(2-ethylpiperidin-1-yl)phenyl]propan-1-amine

(1S)-1-[4-(2-ethylpiperidin-1-yl)phenyl]propan-1-amine (PubChem CID 114066011) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (1S)-1-[4-(2-ethylpiperidin-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[4-(2-ethylpiperidin-1-yl)phenyl]propan-1-amine
PubChem CID114066011
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(1S)-1-[4-(2-ethylpiperidin-1-yl)phenyl]propan-1-amine
SMILESCCC1CCCCN1c1ccc([C@@H](N)CC)cc1
InChIInChI=1S/C16H26N2/c1-3-14-7-5-6-12-18(14)15-10-8-13(9-11-15)16(17)4-2/h8-11,14,16H,3-7,12,17H2,1-2H3/t14?,16-/m0/s1
InChIKeyIWVYJCLZMRXJLG-WMCAAGNKSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[4-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 114066064
(1R)-1-[4-(2-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 114065949
2-ethyl-1-(4-methylphenyl)piperidine
CID 90712958
4-(2-ethylpyrrolidin-1-yl)aniline
CID 60973731
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
(1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine
CID 63368268
[4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine
CID 115366675
(1R)-1-[2-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 103958582
4-(2-ethylazepan-1-yl)-2-methylaniline
CID 104688805
N-[4-(2-ethylpiperidin-1-yl)phenyl]-2-methylpropanamide
CID 112985421
(1S)-1-[3-chloro-4-(2-ethylazepan-1-yl)phenyl]ethanamine
CID 104690209
4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 54883042

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2-ethylpiperidin-1-yl)phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[4-(2-ethylpiperidin-1-yl)phenyl]propan-1-amine (CID 114066011) is (1S)-1-[4-(2-ethylpiperidin-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[4-(2-ethylpiperidin-1-yl)phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[4-(2-ethylpiperidin-1-yl)phenyl]propan-1-amine is CCC1CCCCN1c1ccc([C@@H](N)CC)cc1.
What is the InChIKey of (1S)-1-[4-(2-ethylpiperidin-1-yl)phenyl]propan-1-amine?
The InChIKey is IWVYJCLZMRXJLG-WMCAAGNKSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-14-7-5-6-12-18(14)15-10-8-13(9-11-15)16(17)4-2/h8-11,14,16H,3-7,12,17H2,1-2H3/t14?,16-/m0/s1.
What are the key properties of (1S)-1-[4-(2-ethylpiperidin-1-yl)phenyl]propan-1-amine?
(1S)-1-[4-(2-ethylpiperidin-1-yl)phenyl]propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2-ethylpiperidin-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 114066011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).