2-(3,4-dichlorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine

C16H24Cl2N2 — CID 83986396

IUPAC2-(3,4-dichlorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
SMILESCCCN1CCCCC1C(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H24Cl2N2/c1-2-8-20-9-4-3-5-16(20)13(11-19)12-6-7-14(17)15(18)10-12/h6-7,10,13,16H,2-5,8-9,11,19H2,1H3
InChIKeyNBIVHKXZPNNNDL-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.30
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine

2-(3,4-dichlorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine (PubChem CID 83986396) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
PubChem CID83986396
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name2-(3,4-dichlorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
SMILESCCCN1CCCCC1C(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H24Cl2N2/c1-2-8-20-9-4-3-5-16(20)13(11-19)12-6-7-14(17)15(18)10-12/h6-7,10,13,16H,2-5,8-9,11,19H2,1H3
InChIKeyNBIVHKXZPNNNDL-UHFFFAOYSA-N
XLogP4.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
CID 83986705
2-(1-ethylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 83986506
2-(5-fluoro-2-methoxyphenyl)-2-(1-propylpiperidin-2-yl)ethanamine
CID 83987062
4-[2-amino-1-(1-ethylpiperidin-2-yl)ethyl]phenol
CID 83987243
2-(1,3-benzodioxol-5-yl)-2-(1-ethylpiperidin-2-yl)ethanamine
CID 83986798
2-[(2S)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol
CID 10044290
2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
CID 83986706
2-(3,4-dimethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
CID 83986310
4-[2-amino-1-[1-(2-methylpropyl)piperidin-2-yl]ethyl]phenol
CID 83987245
2-(3,4-dichlorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79166030
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 83986778
2-(4-tert-butylphenyl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 83987713

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine (CID 83986396) is 2-(3,4-dichlorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine is CCCN1CCCCC1C(CN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine?
The InChIKey is NBIVHKXZPNNNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-2-8-20-9-4-3-5-16(20)13(11-19)12-6-7-14(17)15(18)10-12/h6-7,10,13,16H,2-5,8-9,11,19H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine?
2-(3,4-dichlorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine has a molecular weight of 315.29 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 83986396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).