N-[5-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]pentan-2-yl]-N,2-dimethylaniline

C25H34Cl2N2 — CID 143038793

IUPACN-[5-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]pentan-2-yl]-N,2-dimethylaniline
SMILESCc1ccccc1N(C)C(C)CCCN1CCC(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C25H34Cl2N2/c1-19-7-4-5-9-25(19)28(3)20(2)8-6-14-29-15-12-21(13-16-29)17-22-10-11-23(26)24(27)18-22/h4-5,7,9-11,18,20-21H,6,8,12-17H2,1-3H3
InChIKeyJONSCDYTQOJOMX-UHFFFAOYSA-N
MW433.47 g/mol
LogP6.86
Rot. Bonds8

About N-[5-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]pentan-2-yl]-N,2-dimethylaniline

N-[5-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]pentan-2-yl]-N,2-dimethylaniline (PubChem CID 143038793) has the molecular formula C25H34Cl2N2 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-[5-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]pentan-2-yl]-N,2-dimethylaniline.

Molecular Properties

Compound NameN-[5-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]pentan-2-yl]-N,2-dimethylaniline
PubChem CID143038793
Molecular FormulaC25H34Cl2N2
Molecular Weight433.47 g/mol
Exact Mass432.21
IUPAC NameN-[5-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]pentan-2-yl]-N,2-dimethylaniline
SMILESCc1ccccc1N(C)C(C)CCCN1CCC(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C25H34Cl2N2/c1-19-7-4-5-9-25(19)28(3)20(2)8-6-14-29-15-12-21(13-16-29)17-22-10-11-23(26)24(27)18-22/h4-5,7,9-11,18,20-21H,6,8,12-17H2,1-3H3
InChIKeyJONSCDYTQOJOMX-UHFFFAOYSA-N
XLogP6.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.47
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]pentan-2-yl]-N,2-dimethylaniline?
The IUPAC name of N-[5-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]pentan-2-yl]-N,2-dimethylaniline (CID 143038793) is N-[5-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]pentan-2-yl]-N,2-dimethylaniline.
What is the SMILES notation for N-[5-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]pentan-2-yl]-N,2-dimethylaniline?
The canonical SMILES for N-[5-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]pentan-2-yl]-N,2-dimethylaniline is Cc1ccccc1N(C)C(C)CCCN1CCC(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[5-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]pentan-2-yl]-N,2-dimethylaniline?
The InChIKey is JONSCDYTQOJOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34Cl2N2/c1-19-7-4-5-9-25(19)28(3)20(2)8-6-14-29-15-12-21(13-16-29)17-22-10-11-23(26)24(27)18-22/h4-5,7,9-11,18,20-21H,6,8,12-17H2,1-3H3.
What are the key properties of N-[5-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]pentan-2-yl]-N,2-dimethylaniline?
N-[5-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]pentan-2-yl]-N,2-dimethylaniline has a molecular weight of 433.47 g/mol, XLogP of 6.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]pentan-2-yl]-N,2-dimethylaniline is sourced from PubChem (CID 143038793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).