3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine

C17H28N2O — CID 117239247

IUPAC3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine
SMILESCC(C)N1CCC(C(CN)COc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-14(2)19-10-8-15(9-11-19)16(12-18)13-20-17-6-4-3-5-7-17/h3-7,14-16H,8-13,18H2,1-2H3
InChIKeyKYEZWGPLNSDMJX-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.76
Rot. Bonds6

About 3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine

3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine (PubChem CID 117239247) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine
PubChem CID117239247
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine
SMILESCC(C)N1CCC(C(CN)COc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-14(2)19-10-8-15(9-11-19)16(12-18)13-20-17-6-4-3-5-7-17/h3-7,14-16H,8-13,18H2,1-2H3
InChIKeyKYEZWGPLNSDMJX-UHFFFAOYSA-N
XLogP2.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239345
3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol
CID 117237909
3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine
CID 117239407
3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
CID 117239350
3-[3-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239349
2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine
CID 117239412
1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine
CID 117238723
3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
CID 117239253
2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine
CID 117237996
3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine
CID 117237900
4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol
CID 117237493
3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237898

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine?
The IUPAC name of 3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine (CID 117239247) is 3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine.
What is the SMILES notation for 3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine?
The canonical SMILES for 3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine is CC(C)N1CCC(C(CN)COc2ccccc2)CC1.
What is the InChIKey of 3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine?
The InChIKey is KYEZWGPLNSDMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)19-10-8-15(9-11-19)16(12-18)13-20-17-6-4-3-5-7-17/h3-7,14-16H,8-13,18H2,1-2H3.
What are the key properties of 3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine?
3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine is sourced from PubChem (CID 117239247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).