N-(2-phenoxyethyl)-1-prop-2-ynylpiperidin-4-amine

C16H22N2O — CID 55013087

IUPACN-(2-phenoxyethyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCCOc2ccccc2)CC1
InChIInChI=1S/C16H22N2O/c1-2-11-18-12-8-15(9-13-18)17-10-14-19-16-6-4-3-5-7-16/h1,3-7,15,17H,8-14H2
InChIKeyNKNSARKKYPCSSV-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.75
Rot. Bonds6

About N-(2-phenoxyethyl)-1-prop-2-ynylpiperidin-4-amine

N-(2-phenoxyethyl)-1-prop-2-ynylpiperidin-4-amine (PubChem CID 55013087) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-1-prop-2-ynylpiperidin-4-amine
PubChem CID55013087
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-(2-phenoxyethyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCCOc2ccccc2)CC1
InChIInChI=1S/C16H22N2O/c1-2-11-18-12-8-15(9-13-18)17-10-14-19-16-6-4-3-5-7-16/h1,3-7,15,17H,8-14H2
InChIKeyNKNSARKKYPCSSV-UHFFFAOYSA-N
XLogP1.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-phenoxyethylamino)piperidin-1-yl]ethanone
CID 54941279
N'-methyl-N'-phenyl-N-(1-prop-2-ynylpiperidin-4-yl)propane-1,3-diamine
CID 43759235
N-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine
CID 43765302
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol
CID 43774102
N-[2-(2,2-difluoroethoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 103082637
N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 115713726
1-prop-2-ynyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine
CID 54943739
1-(3-phenoxypropyl)-N-propylpyrrolidin-3-amine
CID 55068553
N-(3-methylsulfinylpropyl)-1-prop-2-ynylpiperidin-4-amine
CID 115721039
N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine
CID 62597379
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 81493988

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-(2-phenoxyethyl)-1-prop-2-ynylpiperidin-4-amine (CID 55013087) is N-(2-phenoxyethyl)-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-(2-phenoxyethyl)-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-(2-phenoxyethyl)-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(NCCOc2ccccc2)CC1.
What is the InChIKey of N-(2-phenoxyethyl)-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is NKNSARKKYPCSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-11-18-12-8-15(9-13-18)17-10-14-19-16-6-4-3-5-7-16/h1,3-7,15,17H,8-14H2.
What are the key properties of N-(2-phenoxyethyl)-1-prop-2-ynylpiperidin-4-amine?
N-(2-phenoxyethyl)-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 258.37 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 55013087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).