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

C16H26N2 — CID 63817435

IUPAC1-[4-(4-ethylpiperidin-1-yl)phenyl]propan-2-amine
SMILESCCC1CCN(c2ccc(CC(C)N)cc2)CC1
InChIInChI=1S/C16H26N2/c1-3-14-8-10-18(11-9-14)16-6-4-15(5-7-16)12-13(2)17/h4-7,13-14H,3,8-12,17H2,1-2H3
InChIKeyOONUEEDTQJMPRQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.20
Rot. Bonds4

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

1-[4-(4-ethylpiperidin-1-yl)phenyl]propan-2-amine (PubChem CID 63817435) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[4-(4-ethylpiperidin-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(4-ethylpiperidin-1-yl)phenyl]propan-2-amine
PubChem CID63817435
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[4-(4-ethylpiperidin-1-yl)phenyl]propan-2-amine
SMILESCCC1CCN(c2ccc(CC(C)N)cc2)CC1
InChIInChI=1S/C16H26N2/c1-3-14-8-10-18(11-9-14)16-6-4-15(5-7-16)12-13(2)17/h4-7,13-14H,3,8-12,17H2,1-2H3
InChIKeyOONUEEDTQJMPRQ-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
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

1-[4-(4-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63786073
1-[4-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-2-amine
CID 63980117
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine
CID 63794137
4-ethyl-1-(4-ethylphenyl)piperidine
CID 70847074
ethane;4-ethyl-1-(4-ethylphenyl)piperidine
CID 142390325
1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63786246
N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 61422129
1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 63794882
(1R)-1-[2-bromo-4-(4-ethylpiperidin-1-yl)phenyl]ethanamine
CID 114069005
1-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]propan-2-amine
CID 63795052
1-[2-(3-ethylpyrrolidin-1-yl)-3-fluorophenyl]propan-2-amine
CID 114070145
2-[1-(4-ethylphenyl)piperidin-4-yl]ethanamine
CID 82289871

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylpiperidin-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(4-ethylpiperidin-1-yl)phenyl]propan-2-amine (CID 63817435) is 1-[4-(4-ethylpiperidin-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(4-ethylpiperidin-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(4-ethylpiperidin-1-yl)phenyl]propan-2-amine is CCC1CCN(c2ccc(CC(C)N)cc2)CC1.
What is the InChIKey of 1-[4-(4-ethylpiperidin-1-yl)phenyl]propan-2-amine?
The InChIKey is OONUEEDTQJMPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-14-8-10-18(11-9-14)16-6-4-15(5-7-16)12-13(2)17/h4-7,13-14H,3,8-12,17H2,1-2H3.
What are the key properties of 1-[4-(4-ethylpiperidin-1-yl)phenyl]propan-2-amine?
1-[4-(4-ethylpiperidin-1-yl)phenyl]propan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylpiperidin-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 63817435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).