N-[2-(4,4-dimethylpiperidin-1-yl)-2-phenylethyl]propan-1-amine

C18H30N2 — CID 62930999

IUPACN-[2-(4,4-dimethylpiperidin-1-yl)-2-phenylethyl]propan-1-amine
SMILESCCCNCC(c1ccccc1)N1CCC(C)(C)CC1
InChIInChI=1S/C18H30N2/c1-4-12-19-15-17(16-8-6-5-7-9-16)20-13-10-18(2,3)11-14-20/h5-9,17,19H,4,10-15H2,1-3H3
InChIKeyOLKRIDFRXGATJZ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.85
Rot. Bonds6

About N-[2-(4,4-dimethylpiperidin-1-yl)-2-phenylethyl]propan-1-amine

N-[2-(4,4-dimethylpiperidin-1-yl)-2-phenylethyl]propan-1-amine (PubChem CID 62930999) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[2-(4,4-dimethylpiperidin-1-yl)-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4,4-dimethylpiperidin-1-yl)-2-phenylethyl]propan-1-amine
PubChem CID62930999
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[2-(4,4-dimethylpiperidin-1-yl)-2-phenylethyl]propan-1-amine
SMILESCCCNCC(c1ccccc1)N1CCC(C)(C)CC1
InChIInChI=1S/C18H30N2/c1-4-12-19-15-17(16-8-6-5-7-9-16)20-13-10-18(2,3)11-14-20/h5-9,17,19H,4,10-15H2,1-3H3
InChIKeyOLKRIDFRXGATJZ-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060
N-[2-(4-ethoxypiperidin-1-yl)-2-phenylethyl]propan-1-amine
CID 62427479
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethyl]propan-1-amine
CID 114413386
N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-phenylethyl]propan-1-amine
CID 63026877
3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine
CID 60694080
2-methyl-N-[2-phenyl-2-(1,4-thiazepan-4-yl)ethyl]propan-1-amine
CID 62412057
N-[(3-methyloxetan-3-yl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 107234697
N-ethyl-2-morpholin-4-yl-2-phenylethanamine;molecular hydrogen
CID 144767437
3-(4,4-dimethylazepan-1-yl)-N'-hydroxy-3-phenylpropanimidamide
CID 77064506
N-[2-(4-bromopyrazol-1-yl)-2-phenylethyl]propan-1-amine
CID 62442515
3-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-phenylpropanenitrile
CID 107455022

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylpiperidin-1-yl)-2-phenylethyl]propan-1-amine?
The IUPAC name of N-[2-(4,4-dimethylpiperidin-1-yl)-2-phenylethyl]propan-1-amine (CID 62930999) is N-[2-(4,4-dimethylpiperidin-1-yl)-2-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4,4-dimethylpiperidin-1-yl)-2-phenylethyl]propan-1-amine?
The canonical SMILES for N-[2-(4,4-dimethylpiperidin-1-yl)-2-phenylethyl]propan-1-amine is CCCNCC(c1ccccc1)N1CCC(C)(C)CC1.
What is the InChIKey of N-[2-(4,4-dimethylpiperidin-1-yl)-2-phenylethyl]propan-1-amine?
The InChIKey is OLKRIDFRXGATJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-12-19-15-17(16-8-6-5-7-9-16)20-13-10-18(2,3)11-14-20/h5-9,17,19H,4,10-15H2,1-3H3.
What are the key properties of N-[2-(4,4-dimethylpiperidin-1-yl)-2-phenylethyl]propan-1-amine?
N-[2-(4,4-dimethylpiperidin-1-yl)-2-phenylethyl]propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylpiperidin-1-yl)-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 62930999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).