1-amino-4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylbutan-2-ol

C13H27N3O — CID 64821152

IUPAC1-amino-4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylbutan-2-ol
SMILESCC(O)(CN)CCN1CCN(CC2CC2)CC1
InChIInChI=1S/C13H27N3O/c1-13(17,11-14)4-5-15-6-8-16(9-7-15)10-12-2-3-12/h12,17H,2-11,14H2,1H3
InChIKeyJMXZTNPXNALPPN-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.11
Rot. Bonds6

About 1-amino-4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylbutan-2-ol

1-amino-4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylbutan-2-ol (PubChem CID 64821152) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-amino-4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylbutan-2-ol
PubChem CID64821152
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-amino-4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylbutan-2-ol
SMILESCC(O)(CN)CCN1CCN(CC2CC2)CC1
InChIInChI=1S/C13H27N3O/c1-13(17,11-14)4-5-15-6-8-16(9-7-15)10-12-2-3-12/h12,17H,2-11,14H2,1H3
InChIKeyJMXZTNPXNALPPN-UHFFFAOYSA-N
XLogP0.11
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 64821370
1-amino-4-(4-benzylpiperidin-1-yl)-2-methylbutan-2-ol
CID 64818556
(2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol
CID 140587728
1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol
CID 64818689
1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol
CID 64818975
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-propylpentan-1-amine
CID 61440678
2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64828005
tert-butyl 4-[[1-(2-aminoethyl)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 176580703
4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 61430663
1-amino-2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol
CID 102746437
2-[4-[[4-(aminomethyl)cyclohexyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 79533305
1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol
CID 64818966

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 1-amino-4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylbutan-2-ol (CID 64821152) is 1-amino-4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 1-amino-4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 1-amino-4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylbutan-2-ol is CC(O)(CN)CCN1CCN(CC2CC2)CC1.
What is the InChIKey of 1-amino-4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylbutan-2-ol?
The InChIKey is JMXZTNPXNALPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-13(17,11-14)4-5-15-6-8-16(9-7-15)10-12-2-3-12/h12,17H,2-11,14H2,1H3.
What are the key properties of 1-amino-4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylbutan-2-ol?
1-amino-4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylbutan-2-ol has a molecular weight of 241.38 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 64821152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).