1-[1-[(2R,5R)-1,5-dimethylpyrrolidin-2-yl]propan-2-yl]piperidine

C14H28N2 — CID 163636180

IUPAC1-[1-[(2R,5R)-1,5-dimethylpyrrolidin-2-yl]propan-2-yl]piperidine
SMILESCC(C[C@H]1CC[C@@H](C)N1C)N1CCCCC1
InChIInChI=1S/C14H28N2/c1-12-7-8-14(15(12)3)11-13(2)16-9-5-4-6-10-16/h12-14H,4-11H2,1-3H3/t12-,13?,14-/m1/s1
InChIKeyIAHKNWALUPQTME-WYAMFQBQSA-N
MW224.39 g/mol
LogP2.73
Rot. Bonds3

About 1-[1-[(2R,5R)-1,5-dimethylpyrrolidin-2-yl]propan-2-yl]piperidine

1-[1-[(2R,5R)-1,5-dimethylpyrrolidin-2-yl]propan-2-yl]piperidine (PubChem CID 163636180) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-[1-[(2R,5R)-1,5-dimethylpyrrolidin-2-yl]propan-2-yl]piperidine.

Molecular Properties

Compound Name1-[1-[(2R,5R)-1,5-dimethylpyrrolidin-2-yl]propan-2-yl]piperidine
PubChem CID163636180
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-[1-[(2R,5R)-1,5-dimethylpyrrolidin-2-yl]propan-2-yl]piperidine
SMILESCC(C[C@H]1CC[C@@H](C)N1C)N1CCCCC1
InChIInChI=1S/C14H28N2/c1-12-7-8-14(15(12)3)11-13(2)16-9-5-4-6-10-16/h12-14H,4-11H2,1-3H3/t12-,13?,14-/m1/s1
InChIKeyIAHKNWALUPQTME-WYAMFQBQSA-N
XLogP2.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-piperidin-1-ylpentan-2-yl)piperidine
CID 174442116
N-(2-piperidin-1-ylpropyl)cyclopropanamine
CID 62424338
[(5R)-1,5-dimethylpyrrolidin-2-yl]methanol
CID 90247444
1-(1-piperidin-2-ylpropan-2-yl)azocane
CID 113462116
(2S)-1,2-dimethyl-5-(3-methylbutyl)pyrrolidine
CID 169105766
N-[2-(azocan-1-yl)propyl]cyclopentanamine
CID 62558696
4-(2-pyrrolidin-1-ylpropyl)piperidine
CID 105450292
N-(1-cyclopentylethyl)-2-piperidin-1-ylpropan-1-amine
CID 62632654
N-[2-(1-methylpiperidin-2-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 55067071
8-methyl-N-(2-piperidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 54899357
1-(1-pyrrolidin-3-ylpropan-2-yl)pyrrolidine
CID 105440316
N-(1-cyclopropylethyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79692352

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2R,5R)-1,5-dimethylpyrrolidin-2-yl]propan-2-yl]piperidine?
The IUPAC name of 1-[1-[(2R,5R)-1,5-dimethylpyrrolidin-2-yl]propan-2-yl]piperidine (CID 163636180) is 1-[1-[(2R,5R)-1,5-dimethylpyrrolidin-2-yl]propan-2-yl]piperidine.
What is the SMILES notation for 1-[1-[(2R,5R)-1,5-dimethylpyrrolidin-2-yl]propan-2-yl]piperidine?
The canonical SMILES for 1-[1-[(2R,5R)-1,5-dimethylpyrrolidin-2-yl]propan-2-yl]piperidine is CC(C[C@H]1CC[C@@H](C)N1C)N1CCCCC1.
What is the InChIKey of 1-[1-[(2R,5R)-1,5-dimethylpyrrolidin-2-yl]propan-2-yl]piperidine?
The InChIKey is IAHKNWALUPQTME-WYAMFQBQSA-N. The full InChI is InChI=1S/C14H28N2/c1-12-7-8-14(15(12)3)11-13(2)16-9-5-4-6-10-16/h12-14H,4-11H2,1-3H3/t12-,13?,14-/m1/s1.
What are the key properties of 1-[1-[(2R,5R)-1,5-dimethylpyrrolidin-2-yl]propan-2-yl]piperidine?
1-[1-[(2R,5R)-1,5-dimethylpyrrolidin-2-yl]propan-2-yl]piperidine has a molecular weight of 224.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2R,5R)-1,5-dimethylpyrrolidin-2-yl]propan-2-yl]piperidine is sourced from PubChem (CID 163636180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).