N'-hydroxy-4-[(1S)-1-hydroxy-2-piperidin-1-ylethyl]benzenecarboximidamide

C14H21N3O2 — CID 141290010

IUPACN'-hydroxy-4-[(1S)-1-hydroxy-2-piperidin-1-ylethyl]benzenecarboximidamide
SMILESN/C(=N\O)c1ccc([C@H](O)CN2CCCCC2)cc1
InChIInChI=1S/C14H21N3O2/c15-14(16-19)12-6-4-11(5-7-12)13(18)10-17-8-2-1-3-9-17/h4-7,13,18-19H,1-3,8-10H2,(H2,15,16)/t13-/m1/s1
InChIKeyJIWVCUMOWKGTOJ-CYBMUJFWSA-N
MW263.34 g/mol
LogP1.30
Rot. Bonds4

About N'-hydroxy-4-[(1S)-1-hydroxy-2-piperidin-1-ylethyl]benzenecarboximidamide

N'-hydroxy-4-[(1S)-1-hydroxy-2-piperidin-1-ylethyl]benzenecarboximidamide (PubChem CID 141290010) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-hydroxy-4-[(1S)-1-hydroxy-2-piperidin-1-ylethyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(1S)-1-hydroxy-2-piperidin-1-ylethyl]benzenecarboximidamide
PubChem CID141290010
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN'-hydroxy-4-[(1S)-1-hydroxy-2-piperidin-1-ylethyl]benzenecarboximidamide
SMILESN/C(=N\O)c1ccc([C@H](O)CN2CCCCC2)cc1
InChIInChI=1S/C14H21N3O2/c15-14(16-19)12-6-4-11(5-7-12)13(18)10-17-8-2-1-3-9-17/h4-7,13,18-19H,1-3,8-10H2,(H2,15,16)/t13-/m1/s1
InChIKeyJIWVCUMOWKGTOJ-CYBMUJFWSA-N
XLogP1.30
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-1-[(2S)-2-hydroxy-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]ethyl]piperidin-3-yl]acetic acid
CID 87214180
4-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24701931
4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol
CID 11492169
ethyl 2-[(3R)-1-[(2S)-2-hydroxy-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]ethyl]piperidin-3-yl]acetate
CID 58374196
1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol
CID 66874094
2-(azepan-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 117244530
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanol
CID 56686959
4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61301567
1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol
CID 56686974
1-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)ethanol
CID 82487771
2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol
CID 111476786

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(1S)-1-hydroxy-2-piperidin-1-ylethyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[(1S)-1-hydroxy-2-piperidin-1-ylethyl]benzenecarboximidamide (CID 141290010) is N'-hydroxy-4-[(1S)-1-hydroxy-2-piperidin-1-ylethyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(1S)-1-hydroxy-2-piperidin-1-ylethyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[(1S)-1-hydroxy-2-piperidin-1-ylethyl]benzenecarboximidamide is N/C(=N\O)c1ccc([C@H](O)CN2CCCCC2)cc1.
What is the InChIKey of N'-hydroxy-4-[(1S)-1-hydroxy-2-piperidin-1-ylethyl]benzenecarboximidamide?
The InChIKey is JIWVCUMOWKGTOJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-14(16-19)12-6-4-11(5-7-12)13(18)10-17-8-2-1-3-9-17/h4-7,13,18-19H,1-3,8-10H2,(H2,15,16)/t13-/m1/s1.
What are the key properties of N'-hydroxy-4-[(1S)-1-hydroxy-2-piperidin-1-ylethyl]benzenecarboximidamide?
N'-hydroxy-4-[(1S)-1-hydroxy-2-piperidin-1-ylethyl]benzenecarboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(1S)-1-hydroxy-2-piperidin-1-ylethyl]benzenecarboximidamide is sourced from PubChem (CID 141290010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).