1-[4-(4-methyl-2,3-dihydropyrrol-1-yl)-2-piperidin-1-ylphenyl]piperidine

C21H31N3 — CID 141177032

IUPAC1-[4-(4-methyl-2,3-dihydropyrrol-1-yl)-2-piperidin-1-ylphenyl]piperidine
SMILESCC1=CN(c2ccc(N3CCCCC3)c(N3CCCCC3)c2)CC1
InChIInChI=1S/C21H31N3/c1-18-10-15-24(17-18)19-8-9-20(22-11-4-2-5-12-22)21(16-19)23-13-6-3-7-14-23/h8-9,16-17H,2-7,10-15H2,1H3
InChIKeyXEMRDJXNSVZICP-UHFFFAOYSA-N
MW325.50 g/mol
LogP4.78
Rot. Bonds3

About 1-[4-(4-methyl-2,3-dihydropyrrol-1-yl)-2-piperidin-1-ylphenyl]piperidine

1-[4-(4-methyl-2,3-dihydropyrrol-1-yl)-2-piperidin-1-ylphenyl]piperidine (PubChem CID 141177032) has the molecular formula C21H31N3 and a molecular weight of 325.50 g/mol. Its IUPAC name is 1-[4-(4-methyl-2,3-dihydropyrrol-1-yl)-2-piperidin-1-ylphenyl]piperidine.

Molecular Properties

Compound Name1-[4-(4-methyl-2,3-dihydropyrrol-1-yl)-2-piperidin-1-ylphenyl]piperidine
PubChem CID141177032
Molecular FormulaC21H31N3
Molecular Weight325.50 g/mol
Exact Mass325.25
IUPAC Name1-[4-(4-methyl-2,3-dihydropyrrol-1-yl)-2-piperidin-1-ylphenyl]piperidine
SMILESCC1=CN(c2ccc(N3CCCCC3)c(N3CCCCC3)c2)CC1
InChIInChI=1S/C21H31N3/c1-18-10-15-24(17-18)19-8-9-20(22-11-4-2-5-12-22)21(16-19)23-13-6-3-7-14-23/h8-9,16-17H,2-7,10-15H2,1H3
InChIKeyXEMRDJXNSVZICP-UHFFFAOYSA-N
XLogP4.78
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2,4-Di(piperidin-1-yl)aniline
CID 655480
1-Methyl-4-(4-nitro-3-(piperidin-1-yl)phenyl)piperazine
CID 2885704
1-(2-Methyl-2-buten-1-yl)-4-phenylpiperazine
CID 782507
1-Nitro-2,4-dipiperidinobenzene
CID 4049694
4-(Piperidin-1-yl)benzene-1,2-diamine
CID 13381914
2,4-Bis(4-methylpiperazin-1-yl)aniline
CID 645450
2,5-Bis(piperidin-1-yl)aniline
CID 28809802
Piperazine, 1-phenyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446873
4-Methyl-1-[3-(4-methylpiperidin-1-yl)-4-nitrophenyl]piperidine
CID 172436830
4-Methyl-1-[5-(4-methylpiperazinyl)-2-nitrophenyl]piperazine
CID 2888142
1-(1-Methylpiperidin-4-yl)-4-phenylpiperazine
CID 783818
1-[4-(Piperidin-1-yl)phenyl]piperidine
CID 10657968

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-2,3-dihydropyrrol-1-yl)-2-piperidin-1-ylphenyl]piperidine?
The IUPAC name of 1-[4-(4-methyl-2,3-dihydropyrrol-1-yl)-2-piperidin-1-ylphenyl]piperidine (CID 141177032) is 1-[4-(4-methyl-2,3-dihydropyrrol-1-yl)-2-piperidin-1-ylphenyl]piperidine.
What is the SMILES notation for 1-[4-(4-methyl-2,3-dihydropyrrol-1-yl)-2-piperidin-1-ylphenyl]piperidine?
The canonical SMILES for 1-[4-(4-methyl-2,3-dihydropyrrol-1-yl)-2-piperidin-1-ylphenyl]piperidine is CC1=CN(c2ccc(N3CCCCC3)c(N3CCCCC3)c2)CC1.
What is the InChIKey of 1-[4-(4-methyl-2,3-dihydropyrrol-1-yl)-2-piperidin-1-ylphenyl]piperidine?
The InChIKey is XEMRDJXNSVZICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3/c1-18-10-15-24(17-18)19-8-9-20(22-11-4-2-5-12-22)21(16-19)23-13-6-3-7-14-23/h8-9,16-17H,2-7,10-15H2,1H3.
What are the key properties of 1-[4-(4-methyl-2,3-dihydropyrrol-1-yl)-2-piperidin-1-ylphenyl]piperidine?
1-[4-(4-methyl-2,3-dihydropyrrol-1-yl)-2-piperidin-1-ylphenyl]piperidine has a molecular weight of 325.50 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-2,3-dihydropyrrol-1-yl)-2-piperidin-1-ylphenyl]piperidine is sourced from PubChem (CID 141177032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).