N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine

C17H26Cl2N2 — CID 62592900

IUPACN-[[1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C17H26Cl2N2/c1-13(2)9-20-10-14-5-4-8-21(11-14)12-15-16(18)6-3-7-17(15)19/h3,6-7,13-14,20H,4-5,8-12H2,1-2H3
InChIKeyKPPUHLHNQHXUII-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.45
Rot. Bonds6

About N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine

N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62592900) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID62592900
Molecular FormulaC17H26Cl2N2
Molecular Weight329.31 g/mol
Exact Mass328.15
IUPAC NameN-[[1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C17H26Cl2N2/c1-13(2)9-20-10-14-5-4-8-21(11-14)12-15-16(18)6-3-7-17(15)19/h3,6-7,13-14,20H,4-5,8-12H2,1-2H3
InChIKeyKPPUHLHNQHXUII-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 114849868
N-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 107881931
N-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62592371
N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 63528020
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 86313839
2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 93490056
N-[[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62592901
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 93492247
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
3-chloro-2-[(3-ethylpiperidin-1-yl)methyl]aniline
CID 63745585
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62593255

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine (CID 62592900) is N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCN(Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is KPPUHLHNQHXUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2/c1-13(2)9-20-10-14-5-4-8-21(11-14)12-15-16(18)6-3-7-17(15)19/h3,6-7,13-14,20H,4-5,8-12H2,1-2H3.
What are the key properties of N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 329.31 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62592900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).