3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline

C15H23ClN2 — CID 79549743

IUPAC3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
SMILESCc1ccc(NC(C)CC2CCCCN2)cc1Cl
InChIInChI=1S/C15H23ClN2/c1-11-6-7-14(10-15(11)16)18-12(2)9-13-5-3-4-8-17-13/h6-7,10,12-13,17-18H,3-5,8-9H2,1-2H3
InChIKeyWIKHFBSCYMAEIE-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.98
Rot. Bonds4

About 3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline

3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline (PubChem CID 79549743) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
PubChem CID79549743
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
SMILESCc1ccc(NC(C)CC2CCCCN2)cc1Cl
InChIInChI=1S/C15H23ClN2/c1-11-6-7-14(10-15(11)16)18-12(2)9-13-5-3-4-8-17-13/h6-7,10,12-13,17-18H,3-5,8-9H2,1-2H3
InChIKeyWIKHFBSCYMAEIE-UHFFFAOYSA-N
XLogP3.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(azepan-2-yl)propan-2-yl]-3-bromo-4-methylaniline
CID 79559813
N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
CID 79553516
2-chloro-5-(1-pyrrolidin-2-ylpropan-2-ylamino)benzonitrile
CID 79541140
4-ethyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549376
4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541004
3-bromo-4-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79537317
3-fluoro-5-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79537051
N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline
CID 79549390
N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-5-fluoroaniline
CID 107364392
N-[1-(azepan-2-yl)propan-2-yl]-3-fluoro-4-methoxyaniline
CID 79560872
4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzene-1,2-dicarbonitrile
CID 107788363
4-bromo-3-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540717

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The IUPAC name of 3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline (CID 79549743) is 3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline.
What is the SMILES notation for 3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The canonical SMILES for 3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline is Cc1ccc(NC(C)CC2CCCCN2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The InChIKey is WIKHFBSCYMAEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11-6-7-14(10-15(11)16)18-12(2)9-13-5-3-4-8-17-13/h6-7,10,12-13,17-18H,3-5,8-9H2,1-2H3.
What are the key properties of 3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline?
3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline has a molecular weight of 266.82 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline is sourced from PubChem (CID 79549743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).