N-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]methyl]ethanamine

C15H22Cl2N2 — CID 54794583

IUPACN-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(Cc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C15H22Cl2N2/c1-2-18-9-12-4-3-5-19(10-12)11-13-6-14(16)8-15(17)7-13/h6-8,12,18H,2-5,9-11H2,1H3
InChIKeyXMHGJDMDYHSLKB-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.81
Rot. Bonds5

About N-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]methyl]ethanamine

N-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]methyl]ethanamine (PubChem CID 54794583) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
PubChem CID54794583
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC NameN-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(Cc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C15H22Cl2N2/c1-2-18-9-12-4-3-5-19(10-12)11-13-6-14(16)8-15(17)7-13/h6-8,12,18H,2-5,9-11H2,1H3
InChIKeyXMHGJDMDYHSLKB-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 54794504
1-[[(3S)-1-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-ethylurea
CID 95226697
N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 62581145
N-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 102616382
N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793885
N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793865
N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
CID 54794486
N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 55083146
N-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582064
N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 107043593
N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62592731
N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 79267719

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]methyl]ethanamine (CID 54794583) is N-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]methyl]ethanamine is CCNCC1CCCN(Cc2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of N-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]methyl]ethanamine?
The InChIKey is XMHGJDMDYHSLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-2-18-9-12-4-3-5-19(10-12)11-13-6-14(16)8-15(17)7-13/h6-8,12,18H,2-5,9-11H2,1H3.
What are the key properties of N-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]methyl]ethanamine?
N-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]methyl]ethanamine has a molecular weight of 301.26 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 54794583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).