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

C20H40N4 — CID 69468344

IUPAC(2R)-2-methyl-1-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]piperidine
SMILESC[C@@H]1CCCCN1CCCN1CCN(CCCN2CCC[C@@H]2C)C1
InChIInChI=1S/C20H40N4/c1-19-8-3-4-12-23(19)14-6-10-21-16-17-22(18-21)11-7-15-24-13-5-9-20(24)2/h19-20H,3-18H2,1-2H3/t19-,20+/m1/s1
InChIKeyWVQPNRUNZOYYLR-UXHICEINSA-N
MW336.57 g/mol
LogP2.70
Rot. Bonds8

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

(2R)-2-methyl-1-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]piperidine (PubChem CID 69468344) has the molecular formula C20H40N4 and a molecular weight of 336.57 g/mol. Its IUPAC name is (2R)-2-methyl-1-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]piperidine.

Molecular Properties

Compound Name(2R)-2-methyl-1-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]piperidine
PubChem CID69468344
Molecular FormulaC20H40N4
Molecular Weight336.57 g/mol
Exact Mass336.33
IUPAC Name(2R)-2-methyl-1-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]piperidine
SMILESC[C@@H]1CCCCN1CCCN1CCN(CCCN2CCC[C@@H]2C)C1
InChIInChI=1S/C20H40N4/c1-19-8-3-4-12-23(19)14-6-10-21-16-17-22(18-21)11-7-15-24-13-5-9-20(24)2/h19-20H,3-18H2,1-2H3/t19-,20+/m1/s1
InChIKeyWVQPNRUNZOYYLR-UXHICEINSA-N
XLogP2.70
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]piperidine?
The IUPAC name of (2R)-2-methyl-1-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]piperidine (CID 69468344) is (2R)-2-methyl-1-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]piperidine.
What is the SMILES notation for (2R)-2-methyl-1-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]piperidine?
The canonical SMILES for (2R)-2-methyl-1-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]piperidine is C[C@@H]1CCCCN1CCCN1CCN(CCCN2CCC[C@@H]2C)C1.
What is the InChIKey of (2R)-2-methyl-1-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]piperidine?
The InChIKey is WVQPNRUNZOYYLR-UXHICEINSA-N. The full InChI is InChI=1S/C20H40N4/c1-19-8-3-4-12-23(19)14-6-10-21-16-17-22(18-21)11-7-15-24-13-5-9-20(24)2/h19-20H,3-18H2,1-2H3/t19-,20+/m1/s1.
What are the key properties of (2R)-2-methyl-1-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]piperidine?
(2R)-2-methyl-1-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]piperidine has a molecular weight of 336.57 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]piperidine is sourced from PubChem (CID 69468344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).