(4-hydroxy-3-propan-2-ylpiperazin-1-yl)methanamine

C8H19N3O — CID 139832049

IUPAC(4-hydroxy-3-propan-2-ylpiperazin-1-yl)methanamine
SMILESCC(C)C1CN(CN)CCN1O
InChIInChI=1S/C8H19N3O/c1-7(2)8-5-10(6-9)3-4-11(8)12/h7-8,12H,3-6,9H2,1-2H3
InChIKeySOXALOQCPOHGMH-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.07
Rot. Bonds2

About (4-hydroxy-3-propan-2-ylpiperazin-1-yl)methanamine

(4-hydroxy-3-propan-2-ylpiperazin-1-yl)methanamine (PubChem CID 139832049) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is (4-hydroxy-3-propan-2-ylpiperazin-1-yl)methanamine.

Molecular Properties

Compound Name(4-hydroxy-3-propan-2-ylpiperazin-1-yl)methanamine
PubChem CID139832049
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name(4-hydroxy-3-propan-2-ylpiperazin-1-yl)methanamine
SMILESCC(C)C1CN(CN)CCN1O
InChIInChI=1S/C8H19N3O/c1-7(2)8-5-10(6-9)3-4-11(8)12/h7-8,12H,3-6,9H2,1-2H3
InChIKeySOXALOQCPOHGMH-UHFFFAOYSA-N
XLogP-0.07
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-propan-2-ylaziridin-1-yl)methanamine
CID 163565729
1-(4-ethyl-3-propan-2-ylpiperazin-1-yl)propan-2-ol
CID 112546905
1-methyl-4-(piperidin-4-ylmethyl)-2-propan-2-ylpiperazine;hydrochloride
CID 120849001
(3-ethylpyrrolidin-1-yl)methanamine
CID 57317446
(2R)-4-ethyl-1-hydroxy-2-methylpiperazine
CID 89081113
1-(aminomethyl)pyrrolidine-3,4-diol
CID 67191860
3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497335
ethane;[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanamine
CID 142368379
2-[4,7-bis(carboxymethyl)-6,10-di(propan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 118027495
(2R)-1-methyl-2-propan-2-ylaziridine
CID 140882357
1-hydroxy-6-[[4,7,10-tris[(1-hydroxy-6-oxo-2-pyridinyl)methyl]-6-propan-2-yl-1,4,7,10-tetrazacyclododec-1-yl]methyl]pyridin-2-one
CID 171461095
2-[4-(aminomethyl)-2-methylpiperazin-1-yl]-N,N-dimethylacetamide
CID 139421592

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-propan-2-ylpiperazin-1-yl)methanamine?
The IUPAC name of (4-hydroxy-3-propan-2-ylpiperazin-1-yl)methanamine (CID 139832049) is (4-hydroxy-3-propan-2-ylpiperazin-1-yl)methanamine.
What is the SMILES notation for (4-hydroxy-3-propan-2-ylpiperazin-1-yl)methanamine?
The canonical SMILES for (4-hydroxy-3-propan-2-ylpiperazin-1-yl)methanamine is CC(C)C1CN(CN)CCN1O.
What is the InChIKey of (4-hydroxy-3-propan-2-ylpiperazin-1-yl)methanamine?
The InChIKey is SOXALOQCPOHGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-7(2)8-5-10(6-9)3-4-11(8)12/h7-8,12H,3-6,9H2,1-2H3.
What are the key properties of (4-hydroxy-3-propan-2-ylpiperazin-1-yl)methanamine?
(4-hydroxy-3-propan-2-ylpiperazin-1-yl)methanamine has a molecular weight of 173.26 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-propan-2-ylpiperazin-1-yl)methanamine is sourced from PubChem (CID 139832049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).