N-[[1-[1-(2,4-dichlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine

C17H26Cl2N2 — CID 63240771

IUPACN-[[1-[1-(2,4-dichlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(C(C)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C17H26Cl2N2/c1-12(2)20-10-14-5-4-8-21(11-14)13(3)16-7-6-15(18)9-17(16)19/h6-7,9,12-14,20H,4-5,8,10-11H2,1-3H3
InChIKeyOOYSMDBTGFXCNW-UHFFFAOYSA-N
MW329.32 g/mol
LogP4.76
Rot. Bonds5

About N-[[1-[1-(2,4-dichlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine

N-[[1-[1-(2,4-dichlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine (PubChem CID 63240771) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.32 g/mol. Its IUPAC name is N-[[1-[1-(2,4-dichlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[1-(2,4-dichlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
PubChem CID63240771
Molecular FormulaC17H26Cl2N2
Molecular Weight329.32 g/mol
Exact Mass328.15
IUPAC NameN-[[1-[1-(2,4-dichlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(C(C)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C17H26Cl2N2/c1-12(2)20-10-14-5-4-8-21(11-14)13(3)16-7-6-15(18)9-17(16)19/h6-7,9,12-14,20H,4-5,8,10-11H2,1-3H3
InChIKeyOOYSMDBTGFXCNW-UHFFFAOYSA-N
XLogP4.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240956
N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240776
1-[1-(2,4-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 60861960
1-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61209100
2-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-3-yl]ethanamine
CID 82774438
(3S)-1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(sulfamoylamino)methyl]piperidine
CID 95339246
1-[1-[1-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630096
N-[[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 114849863
N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)-1-fluoropropan-2-amine
CID 163651750
1-[1-(2,4-dichlorophenyl)ethyl]-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 111086387
N-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838903
N-[[(3R)-1-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838899

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(2,4-dichlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[1-(2,4-dichlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine (CID 63240771) is N-[[1-[1-(2,4-dichlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[1-(2,4-dichlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[1-(2,4-dichlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCN(C(C)c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of N-[[1-[1-(2,4-dichlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is OOYSMDBTGFXCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2/c1-12(2)20-10-14-5-4-8-21(11-14)13(3)16-7-6-15(18)9-17(16)19/h6-7,9,12-14,20H,4-5,8,10-11H2,1-3H3.
What are the key properties of N-[[1-[1-(2,4-dichlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine?
N-[[1-[1-(2,4-dichlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 329.32 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(2,4-dichlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63240771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).