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

C16H24Cl2N2 — CID 62580625

IUPACN-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H24Cl2N2/c1-12(2)19-9-14-4-3-7-20(11-14)10-13-5-6-15(17)16(18)8-13/h5-6,8,12,14,19H,3-4,7,9-11H2,1-2H3
InChIKeyDCJKAVJSOBBMLY-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.20
Rot. Bonds5

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

N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine (PubChem CID 62580625) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
PubChem CID62580625
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC NameN-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H24Cl2N2/c1-12(2)19-9-14-4-3-7-20(11-14)10-13-5-6-15(17)16(18)8-13/h5-6,8,12,14,19H,3-4,7,9-11H2,1-2H3
InChIKeyDCJKAVJSOBBMLY-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582239
N-[[1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241569
N-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240821
N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512469
N-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 107881931
N-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 114937512
N-[[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 114849863
N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 104973667
N-[[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 103038269
N-[[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241176
N-[[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 80606645
N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241848

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine (CID 62580625) is N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCN(Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is DCJKAVJSOBBMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-12(2)19-9-14-4-3-7-20(11-14)10-13-5-6-15(17)16(18)8-13/h5-6,8,12,14,19H,3-4,7,9-11H2,1-2H3.
What are the key properties of N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine?
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 315.29 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62580625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).