2-[4-benzyl-2-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]ethanamine

C21H26Cl2N2 — CID 142193593

IUPAC2-[4-benzyl-2-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]ethanamine
SMILESNCCN1CCC(Cc2ccccc2)CC1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H26Cl2N2/c22-20-7-6-17(15-21(20)23)13-19-14-18(8-10-25(19)11-9-24)12-16-4-2-1-3-5-16/h1-7,15,18-19H,8-14,24H2
InChIKeyYPWDRWNVLZAPIN-UHFFFAOYSA-N
MW377.36 g/mol
LogP4.82
Rot. Bonds6

About 2-[4-benzyl-2-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]ethanamine

2-[4-benzyl-2-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]ethanamine (PubChem CID 142193593) has the molecular formula C21H26Cl2N2 and a molecular weight of 377.36 g/mol. Its IUPAC name is 2-[4-benzyl-2-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-benzyl-2-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]ethanamine
PubChem CID142193593
Molecular FormulaC21H26Cl2N2
Molecular Weight377.36 g/mol
Exact Mass376.15
IUPAC Name2-[4-benzyl-2-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]ethanamine
SMILESNCCN1CCC(Cc2ccccc2)CC1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H26Cl2N2/c22-20-7-6-17(15-21(20)23)13-19-14-18(8-10-25(19)11-9-24)12-16-4-2-1-3-5-16/h1-7,15,18-19H,8-14,24H2
InChIKeyYPWDRWNVLZAPIN-UHFFFAOYSA-N
XLogP4.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-benzyl-2-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-benzyl-2-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]ethanamine (CID 142193593) is 2-[4-benzyl-2-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-benzyl-2-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-benzyl-2-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]ethanamine is NCCN1CCC(Cc2ccccc2)CC1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[4-benzyl-2-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]ethanamine?
The InChIKey is YPWDRWNVLZAPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N2/c22-20-7-6-17(15-21(20)23)13-19-14-18(8-10-25(19)11-9-24)12-16-4-2-1-3-5-16/h1-7,15,18-19H,8-14,24H2.
What are the key properties of 2-[4-benzyl-2-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]ethanamine?
2-[4-benzyl-2-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]ethanamine has a molecular weight of 377.36 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-benzyl-2-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]ethanamine is sourced from PubChem (CID 142193593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).