N-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine

C19H32N2 — CID 63469310

IUPACN-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine
SMILESCCCNC(CN1CCC(CCC)CC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-3-8-17-11-14-21(15-12-17)16-19(20-13-4-2)18-9-6-5-7-10-18/h5-7,9-10,17,19-20H,3-4,8,11-16H2,1-2H3
InChIKeyLOLIJZIMVSGSLF-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.24
Rot. Bonds8

About N-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine

N-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine (PubChem CID 63469310) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine
PubChem CID63469310
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine
SMILESCCCNC(CN1CCC(CCC)CC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-3-8-17-11-14-21(15-12-17)16-19(20-13-4-2)18-9-6-5-7-10-18/h5-7,9-10,17,19-20H,3-4,8,11-16H2,1-2H3
InChIKeyLOLIJZIMVSGSLF-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103495170
1-phenyl-3-(4-propylpiperidin-1-yl)propan-2-amine
CID 62205972
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethyl]propan-1-amine
CID 104958381
2-(4-tert-butylpiperidin-1-yl)-N-ethyl-1-phenylethanamine
CID 63468213
N-[2-(3,4-dimethoxypyrrolidin-1-yl)-1-phenylethyl]propan-1-amine
CID 103532396
4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine
CID 114929692
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine
CID 61241035
N'-hydroxy-2-phenyl-3-(4-propylpiperidin-1-yl)propanimidamide
CID 77043598
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine (CID 63469310) is N-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine is CCCNC(CN1CCC(CCC)CC1)c1ccccc1.
What is the InChIKey of N-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine?
The InChIKey is LOLIJZIMVSGSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-8-17-11-14-21(15-12-17)16-19(20-13-4-2)18-9-6-5-7-10-18/h5-7,9-10,17,19-20H,3-4,8,11-16H2,1-2H3.
What are the key properties of N-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine?
N-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63469310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).