(3-hydroxypyrrolidin-1-yl)-piperazin-2-ylmethanone;hydrochloride

C9H18ClN3O2 — CID 170899766

IUPAC(3-hydroxypyrrolidin-1-yl)-piperazin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CNCCN1)N1CCC(O)C1
InChIInChI=1S/C9H17N3O2.ClH/c13-7-1-4-12(6-7)9(14)8-5-10-2-3-11-8;/h7-8,10-11,13H,1-6H2;1H
InChIKeyCGJIHNBMDAAOIL-UHFFFAOYSA-N
MW235.71 g/mol
LogP-1.44
Rot. Bonds1

About (3-hydroxypyrrolidin-1-yl)-piperazin-2-ylmethanone;hydrochloride

(3-hydroxypyrrolidin-1-yl)-piperazin-2-ylmethanone;hydrochloride (PubChem CID 170899766) has the molecular formula C9H18ClN3O2 and a molecular weight of 235.71 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-piperazin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-piperazin-2-ylmethanone;hydrochloride
PubChem CID170899766
Molecular FormulaC9H18ClN3O2
Molecular Weight235.71 g/mol
Exact Mass235.11
IUPAC Name(3-hydroxypyrrolidin-1-yl)-piperazin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CNCCN1)N1CCC(O)C1
InChIInChI=1S/C9H17N3O2.ClH/c13-7-1-4-12(6-7)9(14)8-5-10-2-3-11-8;/h7-8,10-11,13H,1-6H2;1H
InChIKeyCGJIHNBMDAAOIL-UHFFFAOYSA-N
XLogP-1.44
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride
CID 130608601
(3-methylpiperidin-1-yl)-piperazin-2-ylmethanone
CID 63102910
azocan-1-yl(piperazin-2-yl)methanone
CID 63104167
azetidin-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 127007570
2-[1-(piperazine-2-carbonyl)piperidin-4-yl]acetamide
CID 55176681
(3-ethyl-4-methylpiperazin-1-yl)-piperazin-2-ylmethanone
CID 63621732
1,3-dithiolan-2-yl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 126997876
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 103950474
[(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 107222844
[(3S)-3-hydroxypiperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 93086400
[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106832199
[4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;dihydrochloride
CID 67158369

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-piperazin-2-ylmethanone;hydrochloride?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-piperazin-2-ylmethanone;hydrochloride (CID 170899766) is (3-hydroxypyrrolidin-1-yl)-piperazin-2-ylmethanone;hydrochloride.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-piperazin-2-ylmethanone;hydrochloride?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-piperazin-2-ylmethanone;hydrochloride is Cl.O=C(C1CNCCN1)N1CCC(O)C1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-piperazin-2-ylmethanone;hydrochloride?
The InChIKey is CGJIHNBMDAAOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2.ClH/c13-7-1-4-12(6-7)9(14)8-5-10-2-3-11-8;/h7-8,10-11,13H,1-6H2;1H.
What are the key properties of (3-hydroxypyrrolidin-1-yl)-piperazin-2-ylmethanone;hydrochloride?
(3-hydroxypyrrolidin-1-yl)-piperazin-2-ylmethanone;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of -1.44, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-piperazin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 170899766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).