(3R)-3-[1-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-1-methylpiperidine

C15H30N2 — CID 170053035

IUPAC(3R)-3-[1-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-1-methylpiperidine
SMILESCC[C@H]1CCN(CC(C)[C@H]2CCCN(C)C2)C1
InChIInChI=1S/C15H30N2/c1-4-14-7-9-17(11-14)10-13(2)15-6-5-8-16(3)12-15/h13-15H,4-12H2,1-3H3/t13?,14-,15-/m0/s1
InChIKeyPYNRERXNYFPFEY-FGRDXJNISA-N
MW238.42 g/mol
LogP2.70
Rot. Bonds4

About (3R)-3-[1-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-1-methylpiperidine

(3R)-3-[1-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-1-methylpiperidine (PubChem CID 170053035) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is (3R)-3-[1-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-1-methylpiperidine.

Molecular Properties

Compound Name(3R)-3-[1-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-1-methylpiperidine
PubChem CID170053035
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name(3R)-3-[1-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-1-methylpiperidine
SMILESCC[C@H]1CCN(CC(C)[C@H]2CCCN(C)C2)C1
InChIInChI=1S/C15H30N2/c1-4-14-7-9-17(11-14)10-13(2)15-6-5-8-16(3)12-15/h13-15H,4-12H2,1-3H3/t13?,14-,15-/m0/s1
InChIKeyPYNRERXNYFPFEY-FGRDXJNISA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(3-ethylpiperidin-1-yl)propan-2-amine
CID 103934495
1-cyclopentyl-N-ethyl-2-(3-ethylpyrrolidin-1-yl)ethanamine
CID 104747000
ethane;3-ethyl-1-methylpiperidine
CID 142833851
1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane
CID 169182399
4-(3-ethylpiperidin-1-yl)butan-2-amine
CID 43584476
1-methyl-3-(2-methylpentan-3-yl)piperidine
CID 137432398
1-(3-ethylpyrrolidin-1-yl)butan-2-ol
CID 115688740
bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine
CID 161292212
3-bromo-1-(2-cyclobutylpropyl)pyrrolidine
CID 130804419
1-cyclopentyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine
CID 83981088
(3S)-3-[1-(2-methoxycyclopentyl)oxypropan-2-yl]-1-methylpiperidine
CID 164926661
1-(2,2-dimethoxyethyl)-3-ethylpiperidine
CID 66221675

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[1-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-1-methylpiperidine?
The IUPAC name of (3R)-3-[1-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-1-methylpiperidine (CID 170053035) is (3R)-3-[1-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-1-methylpiperidine.
What is the SMILES notation for (3R)-3-[1-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-1-methylpiperidine?
The canonical SMILES for (3R)-3-[1-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-1-methylpiperidine is CC[C@H]1CCN(CC(C)[C@H]2CCCN(C)C2)C1.
What is the InChIKey of (3R)-3-[1-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-1-methylpiperidine?
The InChIKey is PYNRERXNYFPFEY-FGRDXJNISA-N. The full InChI is InChI=1S/C15H30N2/c1-4-14-7-9-17(11-14)10-13(2)15-6-5-8-16(3)12-15/h13-15H,4-12H2,1-3H3/t13?,14-,15-/m0/s1.
What are the key properties of (3R)-3-[1-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-1-methylpiperidine?
(3R)-3-[1-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-1-methylpiperidine has a molecular weight of 238.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[1-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-1-methylpiperidine is sourced from PubChem (CID 170053035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).