4-chloro-3-methoxy-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline

C17H27ClN2O — CID 107620998

IUPAC4-chloro-3-methoxy-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
SMILESCCCN1CCCC(C(C)Nc2ccc(Cl)c(OC)c2)C1
InChIInChI=1S/C17H27ClN2O/c1-4-9-20-10-5-6-14(12-20)13(2)19-15-7-8-16(18)17(11-15)21-3/h7-8,11,13-14,19H,4-6,9-10,12H2,1-3H3
InChIKeyCKHHKFIDXLDDDN-UHFFFAOYSA-N
MW310.87 g/mol
LogP4.27
Rot. Bonds6

About 4-chloro-3-methoxy-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline

4-chloro-3-methoxy-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline (PubChem CID 107620998) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
PubChem CID107620998
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name4-chloro-3-methoxy-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
SMILESCCCN1CCCC(C(C)Nc2ccc(Cl)c(OC)c2)C1
InChIInChI=1S/C17H27ClN2O/c1-4-9-20-10-5-6-14(12-20)13(2)19-15-7-8-16(18)17(11-15)21-3/h7-8,11,13-14,19H,4-6,9-10,12H2,1-3H3
InChIKeyCKHHKFIDXLDDDN-UHFFFAOYSA-N
XLogP4.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-fluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43721347
4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline
CID 107620997
4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308678
2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308707
2-chloro-4-fluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308731
4-bromo-2,6-dichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308713
4-bromo-2-chloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308799
[3-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]methanol
CID 43714988
2-[4-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]ethanol
CID 61237330
1-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyrazol-4-amine
CID 43534727
2-bromo-5-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 104722437
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline
CID 43307671

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
The IUPAC name of 4-chloro-3-methoxy-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline (CID 107620998) is 4-chloro-3-methoxy-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline.
What is the SMILES notation for 4-chloro-3-methoxy-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
The canonical SMILES for 4-chloro-3-methoxy-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline is CCCN1CCCC(C(C)Nc2ccc(Cl)c(OC)c2)C1.
What is the InChIKey of 4-chloro-3-methoxy-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
The InChIKey is CKHHKFIDXLDDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-4-9-20-10-5-6-14(12-20)13(2)19-15-7-8-16(18)17(11-15)21-3/h7-8,11,13-14,19H,4-6,9-10,12H2,1-3H3.
What are the key properties of 4-chloro-3-methoxy-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
4-chloro-3-methoxy-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline has a molecular weight of 310.87 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline is sourced from PubChem (CID 107620998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).