5-[3-(N-methylanilino)propyl]-2-piperidin-1-ylaniline

C21H29N3 — CID 82071739

IUPAC5-[3-(N-methylanilino)propyl]-2-piperidin-1-ylaniline
SMILESCN(CCCc1ccc(N2CCCCC2)c(N)c1)c1ccccc1
InChIInChI=1S/C21H29N3/c1-23(19-10-4-2-5-11-19)14-8-9-18-12-13-21(20(22)17-18)24-15-6-3-7-16-24/h2,4-5,10-13,17H,3,6-9,14-16,22H2,1H3
InChIKeyHANXCPOJENTDDK-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.33
Rot. Bonds6

About 5-[3-(N-methylanilino)propyl]-2-piperidin-1-ylaniline

5-[3-(N-methylanilino)propyl]-2-piperidin-1-ylaniline (PubChem CID 82071739) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 5-[3-(N-methylanilino)propyl]-2-piperidin-1-ylaniline.

Molecular Properties

Compound Name5-[3-(N-methylanilino)propyl]-2-piperidin-1-ylaniline
PubChem CID82071739
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC Name5-[3-(N-methylanilino)propyl]-2-piperidin-1-ylaniline
SMILESCN(CCCc1ccc(N2CCCCC2)c(N)c1)c1ccccc1
InChIInChI=1S/C21H29N3/c1-23(19-10-4-2-5-11-19)14-8-9-18-12-13-21(20(22)17-18)24-15-6-3-7-16-24/h2,4-5,10-13,17H,3,6-9,14-16,22H2,1H3
InChIKeyHANXCPOJENTDDK-UHFFFAOYSA-N
XLogP4.33
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-anilinopropyl)-2-pyrrolidin-1-ylaniline
CID 39112407
2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline
CID 82070762
5-benzyl-2-pyrrolidin-1-ylaniline
CID 39356087
5-(aminomethyl)-2-piperidin-1-ylaniline
CID 82506966
N-[3-(3-amino-4-pyrrolidin-1-ylphenyl)propyl]cyclooctanamine
CID 39113096
(3-amino-4-pyrrolidin-1-ylphenyl)methanol
CID 94830386
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide
CID 39112746
3-(3-amino-4-piperidin-1-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82070972
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide
CID 39131071
4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 28894846
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 69244410
3-N-methyl-3-N-(4-phenylbutyl)benzene-1,3-diamine
CID 114333894

Frequently Asked Questions

What is the IUPAC name of 5-[3-(N-methylanilino)propyl]-2-piperidin-1-ylaniline?
The IUPAC name of 5-[3-(N-methylanilino)propyl]-2-piperidin-1-ylaniline (CID 82071739) is 5-[3-(N-methylanilino)propyl]-2-piperidin-1-ylaniline.
What is the SMILES notation for 5-[3-(N-methylanilino)propyl]-2-piperidin-1-ylaniline?
The canonical SMILES for 5-[3-(N-methylanilino)propyl]-2-piperidin-1-ylaniline is CN(CCCc1ccc(N2CCCCC2)c(N)c1)c1ccccc1.
What is the InChIKey of 5-[3-(N-methylanilino)propyl]-2-piperidin-1-ylaniline?
The InChIKey is HANXCPOJENTDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3/c1-23(19-10-4-2-5-11-19)14-8-9-18-12-13-21(20(22)17-18)24-15-6-3-7-16-24/h2,4-5,10-13,17H,3,6-9,14-16,22H2,1H3.
What are the key properties of 5-[3-(N-methylanilino)propyl]-2-piperidin-1-ylaniline?
5-[3-(N-methylanilino)propyl]-2-piperidin-1-ylaniline has a molecular weight of 323.48 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(N-methylanilino)propyl]-2-piperidin-1-ylaniline is sourced from PubChem (CID 82071739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).