2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol

C12H25N3O — CID 64828005

IUPAC2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
SMILESCC(N)(CO)CN1CCN(CC2CC2)CC1
InChIInChI=1S/C12H25N3O/c1-12(13,10-16)9-15-6-4-14(5-7-15)8-11-2-3-11/h11,16H,2-10,13H2,1H3
InChIKeyBKLQRBXIQUNRGJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.28
Rot. Bonds5

About 2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol

2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol (PubChem CID 64828005) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
PubChem CID64828005
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
SMILESCC(N)(CO)CN1CCN(CC2CC2)CC1
InChIInChI=1S/C12H25N3O/c1-12(13,10-16)9-15-6-4-14(5-7-15)8-11-2-3-11/h11,16H,2-10,13H2,1H3
InChIKeyBKLQRBXIQUNRGJ-UHFFFAOYSA-N
XLogP-0.28
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol
CID 140587728
2-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-1-ol
CID 64786452
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol
CID 62265497
2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64827441
1-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 64821370
2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-ol
CID 64788004
4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454127
2-amino-3-(4-tert-butylazepan-1-yl)-2-methylpropan-1-ol
CID 64826444
3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide
CID 79631258
2-amino-2-methyl-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 64798655
N-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine
CID 62270799
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol
CID 62373658

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol (CID 64828005) is 2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol is CC(N)(CO)CN1CCN(CC2CC2)CC1.
What is the InChIKey of 2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol?
The InChIKey is BKLQRBXIQUNRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(13,10-16)9-15-6-4-14(5-7-15)8-11-2-3-11/h11,16H,2-10,13H2,1H3.
What are the key properties of 2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol?
2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol has a molecular weight of 227.35 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 64828005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).