4-chloro-2-[(2,4-dimethylpiperidin-1-yl)methyl]aniline

C14H21ClN2 — CID 79582479

IUPAC4-chloro-2-[(2,4-dimethylpiperidin-1-yl)methyl]aniline
SMILESCC1CCN(Cc2cc(Cl)ccc2N)C(C)C1
InChIInChI=1S/C14H21ClN2/c1-10-5-6-17(11(2)7-10)9-12-8-13(15)3-4-14(12)16/h3-4,8,10-11H,5-7,9,16H2,1-2H3
InChIKeySYNNUINWLOQWHD-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.54
Rot. Bonds2

About 4-chloro-2-[(2,4-dimethylpiperidin-1-yl)methyl]aniline

4-chloro-2-[(2,4-dimethylpiperidin-1-yl)methyl]aniline (PubChem CID 79582479) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 4-chloro-2-[(2,4-dimethylpiperidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-2-[(2,4-dimethylpiperidin-1-yl)methyl]aniline
PubChem CID79582479
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name4-chloro-2-[(2,4-dimethylpiperidin-1-yl)methyl]aniline
SMILESCC1CCN(Cc2cc(Cl)ccc2N)C(C)C1
InChIInChI=1S/C14H21ClN2/c1-10-5-6-17(11(2)7-10)9-12-8-13(15)3-4-14(12)16/h3-4,8,10-11H,5-7,9,16H2,1-2H3
InChIKeySYNNUINWLOQWHD-UHFFFAOYSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2,4-dimethylpiperidin-1-yl)methyl]-4-nitroaniline
CID 62332198
[5-[(2,4-dimethylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62429634
4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline
CID 79583191
1-[(2-chloro-5-nitrophenyl)methyl]-2,4-dimethylpiperidine
CID 62329976
4-chloro-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]aniline
CID 79582573
4-chloro-2-[(4,4-dimethylpiperidin-1-yl)methyl]aniline
CID 79582875
2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]aniline
CID 62496588
3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458460
3-chloro-4-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666917
5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62892563
1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426468
4-chloro-2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline
CID 79582865

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2,4-dimethylpiperidin-1-yl)methyl]aniline?
The IUPAC name of 4-chloro-2-[(2,4-dimethylpiperidin-1-yl)methyl]aniline (CID 79582479) is 4-chloro-2-[(2,4-dimethylpiperidin-1-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-2-[(2,4-dimethylpiperidin-1-yl)methyl]aniline?
The canonical SMILES for 4-chloro-2-[(2,4-dimethylpiperidin-1-yl)methyl]aniline is CC1CCN(Cc2cc(Cl)ccc2N)C(C)C1.
What is the InChIKey of 4-chloro-2-[(2,4-dimethylpiperidin-1-yl)methyl]aniline?
The InChIKey is SYNNUINWLOQWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10-5-6-17(11(2)7-10)9-12-8-13(15)3-4-14(12)16/h3-4,8,10-11H,5-7,9,16H2,1-2H3.
What are the key properties of 4-chloro-2-[(2,4-dimethylpiperidin-1-yl)methyl]aniline?
4-chloro-2-[(2,4-dimethylpiperidin-1-yl)methyl]aniline has a molecular weight of 252.79 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2,4-dimethylpiperidin-1-yl)methyl]aniline is sourced from PubChem (CID 79582479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).