4-chloro-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline

C17H27ClN2 — CID 43308115

IUPAC4-chloro-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
SMILESCCCN1CCC(C(C)Nc2ccc(Cl)cc2C)CC1
InChIInChI=1S/C17H27ClN2/c1-4-9-20-10-7-15(8-11-20)14(3)19-17-6-5-16(18)12-13(17)2/h5-6,12,14-15,19H,4,7-11H2,1-3H3
InChIKeyDFJXECJRCYHJBZ-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.57
Rot. Bonds5

About 4-chloro-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline

4-chloro-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline (PubChem CID 43308115) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
PubChem CID43308115
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name4-chloro-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
SMILESCCCN1CCC(C(C)Nc2ccc(Cl)cc2C)CC1
InChIInChI=1S/C17H27ClN2/c1-4-9-20-10-7-15(8-11-20)14(3)19-17-6-5-16(18)12-13(17)2/h5-6,12,14-15,19H,4,7-11H2,1-3H3
InChIKeyDFJXECJRCYHJBZ-UHFFFAOYSA-N
XLogP4.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 62865937
4-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]pyridin-3-amine
CID 63329411
5-bromo-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43729427
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,4-dimethylaniline
CID 43307344
2-bromo-5-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 82761319
4-methyl-3-[1-(1-propylpiperidin-4-yl)ethylamino]benzonitrile
CID 62105765
2,6-dichloro-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 65467589
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 81349354
5-bromo-2-[1-(1-propylpiperidin-4-yl)ethylamino]benzonitrile
CID 82693504
2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43307485
N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine
CID 43716478
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-fluoro-4-methylaniline
CID 43308622

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
The IUPAC name of 4-chloro-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline (CID 43308115) is 4-chloro-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline.
What is the SMILES notation for 4-chloro-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
The canonical SMILES for 4-chloro-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline is CCCN1CCC(C(C)Nc2ccc(Cl)cc2C)CC1.
What is the InChIKey of 4-chloro-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
The InChIKey is DFJXECJRCYHJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-4-9-20-10-7-15(8-11-20)14(3)19-17-6-5-16(18)12-13(17)2/h5-6,12,14-15,19H,4,7-11H2,1-3H3.
What are the key properties of 4-chloro-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
4-chloro-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline has a molecular weight of 294.87 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline is sourced from PubChem (CID 43308115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).