[1-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C13H25N3O2 — CID 55038317

IUPAC[1-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESNCC1(C(=O)N2CCN(CCO)CC2)CCCC1
InChIInChI=1S/C13H25N3O2/c14-11-13(3-1-2-4-13)12(18)16-7-5-15(6-8-16)9-10-17/h17H,1-11,14H2
InChIKeyICJHCEMTJHMNDV-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.36
Rot. Bonds4

About [1-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

[1-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 55038317) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID55038317
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name[1-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESNCC1(C(=O)N2CCN(CCO)CC2)CCCC1
InChIInChI=1S/C13H25N3O2/c14-11-13(3-1-2-4-13)12(18)16-7-5-15(6-8-16)9-10-17/h17H,1-11,14H2
InChIKeyICJHCEMTJHMNDV-UHFFFAOYSA-N
XLogP-0.36
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[1-(aminomethyl)cyclohexyl]-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 115437590
[1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride
CID 119669538
2-[4-[1-(aminomethyl)cyclopentanecarbonyl]-1,4-diazepan-1-yl]acetic acid
CID 115435248
[1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone
CID 80587175
1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]cyclobutane-1-carbothioamide
CID 80590136
[1-(aminomethyl)cyclopentyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 81494206
[1-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404093
[1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone
CID 63609214
[1-(aminomethyl)cyclopentyl]-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone
CID 122148379
2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid
CID 115444228
[1-(aminomethyl)cyclopentyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355739
[4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 119689025

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 55038317) is [1-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is NCC1(C(=O)N2CCN(CCO)CC2)CCCC1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is ICJHCEMTJHMNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c14-11-13(3-1-2-4-13)12(18)16-7-5-15(6-8-16)9-10-17/h17H,1-11,14H2.
What are the key properties of [1-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
[1-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 255.36 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55038317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).