1-[(3S)-pyrrolidin-3-yl]piperidine;dihydrochloride

C9H20Cl2N2 — CID 71464052

IUPAC1-[(3S)-pyrrolidin-3-yl]piperidine;dihydrochloride
SMILESC1CCN([C@H]2CCNC2)CC1.Cl.Cl
InChIInChI=1S/C9H18N2.2ClH/c1-2-6-11(7-3-1)9-4-5-10-8-9;;/h9-10H,1-8H2;2*1H/t9-;;/m0../s1
InChIKeyGDPYVOIPMPHKGB-WWPIYYJJSA-N
MW227.18 g/mol
LogP1.68
Rot. Bonds1

About 1-[(3S)-pyrrolidin-3-yl]piperidine;dihydrochloride

1-[(3S)-pyrrolidin-3-yl]piperidine;dihydrochloride (PubChem CID 71464052) has the molecular formula C9H20Cl2N2 and a molecular weight of 227.18 g/mol. Its IUPAC name is 1-[(3S)-pyrrolidin-3-yl]piperidine;dihydrochloride.

Molecular Properties

Compound Name1-[(3S)-pyrrolidin-3-yl]piperidine;dihydrochloride
PubChem CID71464052
Molecular FormulaC9H20Cl2N2
Molecular Weight227.18 g/mol
Exact Mass226.10
IUPAC Name1-[(3S)-pyrrolidin-3-yl]piperidine;dihydrochloride
SMILESC1CCN([C@H]2CCNC2)CC1.Cl.Cl
InChIInChI=1S/C9H18N2.2ClH/c1-2-6-11(7-3-1)9-4-5-10-8-9;;/h9-10H,1-8H2;2*1H/t9-;;/m0../s1
InChIKeyGDPYVOIPMPHKGB-WWPIYYJJSA-N
XLogP1.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-pyrrolidin-3-yl]piperidine;dihydrochloride?
The IUPAC name of 1-[(3S)-pyrrolidin-3-yl]piperidine;dihydrochloride (CID 71464052) is 1-[(3S)-pyrrolidin-3-yl]piperidine;dihydrochloride.
What is the SMILES notation for 1-[(3S)-pyrrolidin-3-yl]piperidine;dihydrochloride?
The canonical SMILES for 1-[(3S)-pyrrolidin-3-yl]piperidine;dihydrochloride is C1CCN([C@H]2CCNC2)CC1.Cl.Cl.
What is the InChIKey of 1-[(3S)-pyrrolidin-3-yl]piperidine;dihydrochloride?
The InChIKey is GDPYVOIPMPHKGB-WWPIYYJJSA-N. The full InChI is InChI=1S/C9H18N2.2ClH/c1-2-6-11(7-3-1)9-4-5-10-8-9;;/h9-10H,1-8H2;2*1H/t9-;;/m0../s1.
What are the key properties of 1-[(3S)-pyrrolidin-3-yl]piperidine;dihydrochloride?
1-[(3S)-pyrrolidin-3-yl]piperidine;dihydrochloride has a molecular weight of 227.18 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-pyrrolidin-3-yl]piperidine;dihydrochloride is sourced from PubChem (CID 71464052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).