(2S,6R)-2,6-dimethyl-1-(3-pyrrolidin-2-ylpropyl)piperidine

C14H28N2 — CID 104967552

IUPAC(2S,6R)-2,6-dimethyl-1-(3-pyrrolidin-2-ylpropyl)piperidine
SMILESC[C@@H]1CCC[C@H](C)N1CCCC1CCCN1
InChIInChI=1S/C14H28N2/c1-12-6-3-7-13(2)16(12)11-5-9-14-8-4-10-15-14/h12-15H,3-11H2,1-2H3/t12-,13+,14?
InChIKeyDLVZMWJDYUZRBI-PBWFPOADSA-N
MW224.39 g/mol
LogP2.78
Rot. Bonds4

About (2S,6R)-2,6-dimethyl-1-(3-pyrrolidin-2-ylpropyl)piperidine

(2S,6R)-2,6-dimethyl-1-(3-pyrrolidin-2-ylpropyl)piperidine (PubChem CID 104967552) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-1-(3-pyrrolidin-2-ylpropyl)piperidine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-1-(3-pyrrolidin-2-ylpropyl)piperidine
PubChem CID104967552
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(2S,6R)-2,6-dimethyl-1-(3-pyrrolidin-2-ylpropyl)piperidine
SMILESC[C@@H]1CCC[C@H](C)N1CCCC1CCCN1
InChIInChI=1S/C14H28N2/c1-12-6-3-7-13(2)16(12)11-5-9-14-8-4-10-15-14/h12-15H,3-11H2,1-2H3/t12-,13+,14?
InChIKeyDLVZMWJDYUZRBI-PBWFPOADSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-1-(3-piperidin-2-ylpropyl)piperidine
CID 55048026
(2S,6R)-2,6-dimethyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 7141709
1-(3-pyrrolidin-2-ylpropyl)piperazine
CID 62480123
4,4-dimethyl-1-(3-pyrrolidin-2-ylpropyl)azepane
CID 65281341
ethane;2-propylpyrrolidine
CID 143349498
ethane;(2R)-2-propylpyrrolidine
CID 155717204
(2S)-2-hexylpyrrolidine
CID 7047826
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
2-[2-(2-methylpyrrolidin-1-yl)ethyl]piperidine
CID 60973343
3-(3-pyrrolidin-2-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66391134
6-methyl-1-(3-pyrrolidin-2-ylpropyl)piperidine-3-carboxamide
CID 55076612

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-1-(3-pyrrolidin-2-ylpropyl)piperidine?
The IUPAC name of (2S,6R)-2,6-dimethyl-1-(3-pyrrolidin-2-ylpropyl)piperidine (CID 104967552) is (2S,6R)-2,6-dimethyl-1-(3-pyrrolidin-2-ylpropyl)piperidine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-1-(3-pyrrolidin-2-ylpropyl)piperidine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-1-(3-pyrrolidin-2-ylpropyl)piperidine is C[C@@H]1CCC[C@H](C)N1CCCC1CCCN1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-1-(3-pyrrolidin-2-ylpropyl)piperidine?
The InChIKey is DLVZMWJDYUZRBI-PBWFPOADSA-N. The full InChI is InChI=1S/C14H28N2/c1-12-6-3-7-13(2)16(12)11-5-9-14-8-4-10-15-14/h12-15H,3-11H2,1-2H3/t12-,13+,14?.
What are the key properties of (2S,6R)-2,6-dimethyl-1-(3-pyrrolidin-2-ylpropyl)piperidine?
(2S,6R)-2,6-dimethyl-1-(3-pyrrolidin-2-ylpropyl)piperidine has a molecular weight of 224.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-1-(3-pyrrolidin-2-ylpropyl)piperidine is sourced from PubChem (CID 104967552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).