N'-(1-hydroxypiperidin-2-yl)ethane-1,2-diamine

C7H17N3O — CID 141009114

IUPACN'-(1-hydroxypiperidin-2-yl)ethane-1,2-diamine
SMILESNCCNC1CCCCN1O
InChIInChI=1S/C7H17N3O/c8-4-5-9-7-3-1-2-6-10(7)11/h7,9,11H,1-6,8H2
InChIKeyKJNUWOYSMOBNPS-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.26
Rot. Bonds3

About N'-(1-hydroxypiperidin-2-yl)ethane-1,2-diamine

N'-(1-hydroxypiperidin-2-yl)ethane-1,2-diamine (PubChem CID 141009114) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is N'-(1-hydroxypiperidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-hydroxypiperidin-2-yl)ethane-1,2-diamine
PubChem CID141009114
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC NameN'-(1-hydroxypiperidin-2-yl)ethane-1,2-diamine
SMILESNCCNC1CCCCN1O
InChIInChI=1S/C7H17N3O/c8-4-5-9-7-3-1-2-6-10(7)11/h7,9,11H,1-6,8H2
InChIKeyKJNUWOYSMOBNPS-UHFFFAOYSA-N
XLogP-0.26
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxy-N-methylpiperidin-2-amine
CID 5255628
N'-cycloundecylethane-1,2-diamine
CID 166845791
N'-cyclopentylethane-1,2-diamine;dihydrochloride
CID 154725501
(1-hydroxypiperidin-2-yl)methanol
CID 91286383
(1-hydroxypiperidin-2-yl)carbamic acid
CID 175120532
trans-(1R,2R)-2-(2-aminoethylamino)cyclopentan-1-ol
CID 55289731
3-(2-aminoethylamino)cyclohexane-1-carboxylic acid
CID 63652681
N-(2-aminoethyl)-1-[2-(cyclopentylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 63252704
1-hydroxypiperidine-2-carbaldehyde
CID 173140570
N'-(2-cyclohexylcyclohexyl)ethane-1,2-diamine
CID 60889120
2-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 82506005
N'-[2-(cyclopentylmethylamino)ethyl]ethane-1,2-diamine
CID 59819099

Frequently Asked Questions

What is the IUPAC name of N'-(1-hydroxypiperidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(1-hydroxypiperidin-2-yl)ethane-1,2-diamine (CID 141009114) is N'-(1-hydroxypiperidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1-hydroxypiperidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(1-hydroxypiperidin-2-yl)ethane-1,2-diamine is NCCNC1CCCCN1O.
What is the InChIKey of N'-(1-hydroxypiperidin-2-yl)ethane-1,2-diamine?
The InChIKey is KJNUWOYSMOBNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c8-4-5-9-7-3-1-2-6-10(7)11/h7,9,11H,1-6,8H2.
What are the key properties of N'-(1-hydroxypiperidin-2-yl)ethane-1,2-diamine?
N'-(1-hydroxypiperidin-2-yl)ethane-1,2-diamine has a molecular weight of 159.23 g/mol, XLogP of -0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-hydroxypiperidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 141009114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).