2-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]ethanol;dihydrobromide

C10H23Br2N3O — CID 66987376

IUPAC2-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]ethanol;dihydrobromide
SMILESBr.Br.OCCN1CCN([C@H]2CCNC2)CC1
InChIInChI=1S/C10H21N3O.2BrH/c14-8-7-12-3-5-13(6-4-12)10-1-2-11-9-10;;/h10-11,14H,1-9H2;2*1H/t10-;;/m0../s1
InChIKeyCGVYJIWVZPSTMV-XRIOVQLTSA-N
MW361.12 g/mol
LogP0.11
Rot. Bonds3

About 2-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]ethanol;dihydrobromide

2-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]ethanol;dihydrobromide (PubChem CID 66987376) has the molecular formula C10H23Br2N3O and a molecular weight of 361.12 g/mol. Its IUPAC name is 2-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]ethanol;dihydrobromide.

Molecular Properties

Compound Name2-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]ethanol;dihydrobromide
PubChem CID66987376
Molecular FormulaC10H23Br2N3O
Molecular Weight361.12 g/mol
Exact Mass359.02
IUPAC Name2-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]ethanol;dihydrobromide
SMILESBr.Br.OCCN1CCN([C@H]2CCNC2)CC1
InChIInChI=1S/C10H21N3O.2BrH/c14-8-7-12-3-5-13(6-4-12)10-1-2-11-9-10;;/h10-11,14H,1-9H2;2*1H/t10-;;/m0../s1
InChIKeyCGVYJIWVZPSTMV-XRIOVQLTSA-N
XLogP0.11
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.12
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]ethanol;dihydrobromide?
The IUPAC name of 2-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]ethanol;dihydrobromide (CID 66987376) is 2-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]ethanol;dihydrobromide.
What is the SMILES notation for 2-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]ethanol;dihydrobromide?
The canonical SMILES for 2-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]ethanol;dihydrobromide is Br.Br.OCCN1CCN([C@H]2CCNC2)CC1.
What is the InChIKey of 2-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]ethanol;dihydrobromide?
The InChIKey is CGVYJIWVZPSTMV-XRIOVQLTSA-N. The full InChI is InChI=1S/C10H21N3O.2BrH/c14-8-7-12-3-5-13(6-4-12)10-1-2-11-9-10;;/h10-11,14H,1-9H2;2*1H/t10-;;/m0../s1.
What are the key properties of 2-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]ethanol;dihydrobromide?
2-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]ethanol;dihydrobromide has a molecular weight of 361.12 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]ethanol;dihydrobromide is sourced from PubChem (CID 66987376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).