N-[1-(4-methoxyphenyl)propyl]-1-prop-2-ynylpiperidin-4-amine

C18H26N2O — CID 43785961

IUPACN-[1-(4-methoxyphenyl)propyl]-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NC(CC)c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H26N2O/c1-4-12-20-13-10-16(11-14-20)19-18(5-2)15-6-8-17(21-3)9-7-15/h1,6-9,16,18-19H,5,10-14H2,2-3H3
InChIKeyHAEAEYNRIUDLLI-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.83
Rot. Bonds6

About N-[1-(4-methoxyphenyl)propyl]-1-prop-2-ynylpiperidin-4-amine

N-[1-(4-methoxyphenyl)propyl]-1-prop-2-ynylpiperidin-4-amine (PubChem CID 43785961) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-1-prop-2-ynylpiperidin-4-amine
PubChem CID43785961
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NC(CC)c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H26N2O/c1-4-12-20-13-10-16(11-14-20)19-18(5-2)15-6-8-17(21-3)9-7-15/h1,6-9,16,18-19H,5,10-14H2,2-3H3
InChIKeyHAEAEYNRIUDLLI-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]-1-propylpiperidin-4-amine
CID 43183002
1-prop-2-ynyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine
CID 54964413
N-[1-(4-methoxyphenyl)propyl]pyrrolidin-3-amine
CID 79730821
1-ethyl-N-[1-(4-fluorophenyl)propyl]piperidin-4-amine
CID 54917034
3-methoxy-N-[1-(4-methoxyphenyl)propyl]cyclohexan-1-amine
CID 103904067
N-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 105476319
N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 62070325
N-[1-(4-methoxyphenyl)propyl]oxan-3-amine
CID 63359865
N-[1-(4-methoxyphenyl)propyl]-2-(prop-2-ynylamino)acetamide
CID 112722340
N-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpiperidin-4-amine
CID 115707061
(3S)-1-cyclopropyl-3-[[(1R)-1-(4-methoxyphenyl)propyl]amino]pyrrolidin-2-one
CID 97333444
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 60855495

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-1-prop-2-ynylpiperidin-4-amine (CID 43785961) is N-[1-(4-methoxyphenyl)propyl]-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(NC(CC)c2ccc(OC)cc2)CC1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is HAEAEYNRIUDLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-12-20-13-10-16(11-14-20)19-18(5-2)15-6-8-17(21-3)9-7-15/h1,6-9,16,18-19H,5,10-14H2,2-3H3.
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-1-prop-2-ynylpiperidin-4-amine?
N-[1-(4-methoxyphenyl)propyl]-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 286.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 43785961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).