3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride

C10H23Cl2N3O — CID 146675401

IUPAC3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride
SMILESCN1CCN(CC2(O)CCNC2)CC1.Cl.Cl
InChIInChI=1S/C10H21N3O.2ClH/c1-12-4-6-13(7-5-12)9-10(14)2-3-11-8-10;;/h11,14H,2-9H2,1H3;2*1H
InChIKeyGKEWENATSFLWEC-UHFFFAOYSA-N
MW272.22 g/mol
LogP-0.20
Rot. Bonds2

About 3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride

3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride (PubChem CID 146675401) has the molecular formula C10H23Cl2N3O and a molecular weight of 272.22 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride
PubChem CID146675401
Molecular FormulaC10H23Cl2N3O
Molecular Weight272.22 g/mol
Exact Mass271.12
IUPAC Name3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride
SMILESCN1CCN(CC2(O)CCNC2)CC1.Cl.Cl
InChIInChI=1S/C10H21N3O.2ClH/c1-12-4-6-13(7-5-12)9-10(14)2-3-11-8-10;;/h11,14H,2-9H2,1H3;2*1H
InChIKeyGKEWENATSFLWEC-UHFFFAOYSA-N
XLogP-0.20
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 129407519
3-(azocan-1-ylmethyl)pyrrolidin-3-ol
CID 84679274
3-(morpholin-4-ylmethyl)pyrrolidin-3-ol;dihydrochloride
CID 146675400
3-[(3-methylazetidin-1-yl)methyl]pyrrolidin-3-ol
CID 126983391
3-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol
CID 164648785
4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol
CID 84734865
4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol
CID 55048859
1-[(3-fluoropiperidin-3-yl)methyl]-4-methylpiperazine
CID 84681273
2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride
CID 120897174
1-methyl-3-(piperazin-1-ylmethyl)pyrrolidin-3-ol
CID 82506013
4-(3-azaspiro[5.5]undecan-3-ylmethyl)piperidin-4-ol
CID 62936913
4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]piperidin-4-ol
CID 162742269

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride?
The IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride (CID 146675401) is 3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride.
What is the SMILES notation for 3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride?
The canonical SMILES for 3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride is CN1CCN(CC2(O)CCNC2)CC1.Cl.Cl.
What is the InChIKey of 3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride?
The InChIKey is GKEWENATSFLWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O.2ClH/c1-12-4-6-13(7-5-12)9-10(14)2-3-11-8-10;;/h11,14H,2-9H2,1H3;2*1H.
What are the key properties of 3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride?
3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride has a molecular weight of 272.22 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride is sourced from PubChem (CID 146675401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).