1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine

C14H20Cl2N2 — CID 65318364

IUPAC1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2/c1-17-9-13-4-2-3-7-18(13)10-11-8-12(15)5-6-14(11)16/h5-6,8,13,17H,2-4,7,9-10H2,1H3
InChIKeyLETYVKKXMJBZPG-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.57
Rot. Bonds4

About 1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine

1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine (PubChem CID 65318364) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine
PubChem CID65318364
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2/c1-17-9-13-4-2-3-7-18(13)10-11-8-12(15)5-6-14(11)16/h5-6,8,13,17H,2-4,7,9-10H2,1H3
InChIKeyLETYVKKXMJBZPG-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 65318410
N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 65317396
[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 86329767
[(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol
CID 86329631
N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 65317442
2-(bromomethyl)-1-[(2,5-dichlorophenyl)methyl]azepane
CID 116638390
1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928352
2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine
CID 65318647
[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 65321311
1-[1-[(5-chloro-2-nitrophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928451
1-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 63249921
1-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55168540

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine (CID 65318364) is 1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine?
The InChIKey is LETYVKKXMJBZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-17-9-13-4-2-3-7-18(13)10-11-8-12(15)5-6-14(11)16/h5-6,8,13,17H,2-4,7,9-10H2,1H3.
What are the key properties of 1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine?
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine has a molecular weight of 287.23 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 65318364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).