2-methyl-1-[2-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]ethyl]piperidine

C19H38N4 — CID 69467899

IUPAC2-methyl-1-[2-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]ethyl]piperidine
SMILESCC1CCCCN1CCN1CCN(CCCN2CCC[C@@H]2C)C1
InChIInChI=1S/C19H38N4/c1-18-7-3-4-10-23(18)16-15-21-14-13-20(17-21)9-6-12-22-11-5-8-19(22)2/h18-19H,3-17H2,1-2H3/t18?,19-/m0/s1
InChIKeyMPADZSYJDKZDMJ-GGYWPGCISA-N
MW322.54 g/mol
LogP2.31
Rot. Bonds7

About 2-methyl-1-[2-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]ethyl]piperidine

2-methyl-1-[2-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]ethyl]piperidine (PubChem CID 69467899) has the molecular formula C19H38N4 and a molecular weight of 322.54 g/mol. Its IUPAC name is 2-methyl-1-[2-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]ethyl]piperidine.

Molecular Properties

Compound Name2-methyl-1-[2-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]ethyl]piperidine
PubChem CID69467899
Molecular FormulaC19H38N4
Molecular Weight322.54 g/mol
Exact Mass322.31
IUPAC Name2-methyl-1-[2-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]ethyl]piperidine
SMILESCC1CCCCN1CCN1CCN(CCCN2CCC[C@@H]2C)C1
InChIInChI=1S/C19H38N4/c1-18-7-3-4-10-23(18)16-15-21-14-13-20(17-21)9-6-12-22-11-5-8-19(22)2/h18-19H,3-17H2,1-2H3/t18?,19-/m0/s1
InChIKeyMPADZSYJDKZDMJ-GGYWPGCISA-N
XLogP2.31
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]ethyl]piperidine?
The IUPAC name of 2-methyl-1-[2-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]ethyl]piperidine (CID 69467899) is 2-methyl-1-[2-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]ethyl]piperidine.
What is the SMILES notation for 2-methyl-1-[2-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]ethyl]piperidine?
The canonical SMILES for 2-methyl-1-[2-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]ethyl]piperidine is CC1CCCCN1CCN1CCN(CCCN2CCC[C@@H]2C)C1.
What is the InChIKey of 2-methyl-1-[2-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]ethyl]piperidine?
The InChIKey is MPADZSYJDKZDMJ-GGYWPGCISA-N. The full InChI is InChI=1S/C19H38N4/c1-18-7-3-4-10-23(18)16-15-21-14-13-20(17-21)9-6-12-22-11-5-8-19(22)2/h18-19H,3-17H2,1-2H3/t18?,19-/m0/s1.
What are the key properties of 2-methyl-1-[2-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]ethyl]piperidine?
2-methyl-1-[2-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]ethyl]piperidine has a molecular weight of 322.54 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]ethyl]piperidine is sourced from PubChem (CID 69467899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).