(3S,5R)-3,5-dimethyl-1-[2-[3-(3-pyrrolidin-1-ylpropyl)imidazolidin-1-yl]ethyl]piperidine

C19H38N4 — CID 173171965

IUPAC(3S,5R)-3,5-dimethyl-1-[2-[3-(3-pyrrolidin-1-ylpropyl)imidazolidin-1-yl]ethyl]piperidine
SMILESC[C@@H]1C[C@H](C)CN(CCN2CCN(CCCN3CCCC3)C2)C1
InChIInChI=1S/C19H38N4/c1-18-14-19(2)16-23(15-18)13-12-22-11-10-21(17-22)9-5-8-20-6-3-4-7-20/h18-19H,3-17H2,1-2H3/t18-,19+
InChIKeyZEGHRXRUCAVCNR-KDURUIRLSA-N
MW322.54 g/mol
LogP2.03
Rot. Bonds7

About (3S,5R)-3,5-dimethyl-1-[2-[3-(3-pyrrolidin-1-ylpropyl)imidazolidin-1-yl]ethyl]piperidine

(3S,5R)-3,5-dimethyl-1-[2-[3-(3-pyrrolidin-1-ylpropyl)imidazolidin-1-yl]ethyl]piperidine (PubChem CID 173171965) has the molecular formula C19H38N4 and a molecular weight of 322.54 g/mol. Its IUPAC name is (3S,5R)-3,5-dimethyl-1-[2-[3-(3-pyrrolidin-1-ylpropyl)imidazolidin-1-yl]ethyl]piperidine.

Molecular Properties

Compound Name(3S,5R)-3,5-dimethyl-1-[2-[3-(3-pyrrolidin-1-ylpropyl)imidazolidin-1-yl]ethyl]piperidine
PubChem CID173171965
Molecular FormulaC19H38N4
Molecular Weight322.54 g/mol
Exact Mass322.31
IUPAC Name(3S,5R)-3,5-dimethyl-1-[2-[3-(3-pyrrolidin-1-ylpropyl)imidazolidin-1-yl]ethyl]piperidine
SMILESC[C@@H]1C[C@H](C)CN(CCN2CCN(CCCN3CCCC3)C2)C1
InChIInChI=1S/C19H38N4/c1-18-14-19(2)16-23(15-18)13-12-22-11-10-21(17-22)9-5-8-20-6-3-4-7-20/h18-19H,3-17H2,1-2H3/t18-,19+
InChIKeyZEGHRXRUCAVCNR-KDURUIRLSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(3-pyrrolidin-1-ylpropyl)piperidin-3-amine
CID 79993699
1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415394
1-[3-(3-methylazetidin-1-yl)propyl]piperazine
CID 79677275
1-(9-bromononyl)-3,5-dimethylpiperidine
CID 105343565
1-methyl-4-[3-[3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-1-yl]propyl]piperazine
CID 69465572
1-[3-[3-[3-(3,6-dihydro-2H-pyridin-1-yl)propyl]imidazolidin-1-yl]propyl]azepane
CID 69465520
2-(3,5-dimethylpiperidin-1-yl)ethanol
CID 43394133
3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonamide
CID 115608707
1,3-bis[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidine
CID 69468960
3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonyl chloride
CID 112594595
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
1-[3-(3-methylazetidin-1-yl)propyl]-4-(3-methylcyclobutyl)oxypiperidine
CID 167594175

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3,5-dimethyl-1-[2-[3-(3-pyrrolidin-1-ylpropyl)imidazolidin-1-yl]ethyl]piperidine?
The IUPAC name of (3S,5R)-3,5-dimethyl-1-[2-[3-(3-pyrrolidin-1-ylpropyl)imidazolidin-1-yl]ethyl]piperidine (CID 173171965) is (3S,5R)-3,5-dimethyl-1-[2-[3-(3-pyrrolidin-1-ylpropyl)imidazolidin-1-yl]ethyl]piperidine.
What is the SMILES notation for (3S,5R)-3,5-dimethyl-1-[2-[3-(3-pyrrolidin-1-ylpropyl)imidazolidin-1-yl]ethyl]piperidine?
The canonical SMILES for (3S,5R)-3,5-dimethyl-1-[2-[3-(3-pyrrolidin-1-ylpropyl)imidazolidin-1-yl]ethyl]piperidine is C[C@@H]1C[C@H](C)CN(CCN2CCN(CCCN3CCCC3)C2)C1.
What is the InChIKey of (3S,5R)-3,5-dimethyl-1-[2-[3-(3-pyrrolidin-1-ylpropyl)imidazolidin-1-yl]ethyl]piperidine?
The InChIKey is ZEGHRXRUCAVCNR-KDURUIRLSA-N. The full InChI is InChI=1S/C19H38N4/c1-18-14-19(2)16-23(15-18)13-12-22-11-10-21(17-22)9-5-8-20-6-3-4-7-20/h18-19H,3-17H2,1-2H3/t18-,19+.
What are the key properties of (3S,5R)-3,5-dimethyl-1-[2-[3-(3-pyrrolidin-1-ylpropyl)imidazolidin-1-yl]ethyl]piperidine?
(3S,5R)-3,5-dimethyl-1-[2-[3-(3-pyrrolidin-1-ylpropyl)imidazolidin-1-yl]ethyl]piperidine has a molecular weight of 322.54 g/mol, XLogP of 2.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3,5-dimethyl-1-[2-[3-(3-pyrrolidin-1-ylpropyl)imidazolidin-1-yl]ethyl]piperidine is sourced from PubChem (CID 173171965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).