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

C11H23N3O — CID 140587728

IUPAC(2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol
SMILESC[C@](N)(O)CN1CCN(CC2CC2)CC1
InChIInChI=1S/C11H23N3O/c1-11(12,15)9-14-6-4-13(5-7-14)8-10-2-3-10/h10,15H,2-9,12H2,1H3/t11-/m0/s1
InChIKeyXXAXJFZEMZLVGG-NSHDSACASA-N
MW213.32 g/mol
LogP-0.32
Rot. Bonds4

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

(2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol (PubChem CID 140587728) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol
PubChem CID140587728
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name(2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol
SMILESC[C@](N)(O)CN1CCN(CC2CC2)CC1
InChIInChI=1S/C11H23N3O/c1-11(12,15)9-14-6-4-13(5-7-14)8-10-2-3-10/h10,15H,2-9,12H2,1H3/t11-/m0/s1
InChIKeyXXAXJFZEMZLVGG-NSHDSACASA-N
XLogP-0.32
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64828005
1-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 64821370
4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454127
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol
CID 62265497
1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methylpropan-2-ol
CID 99639323
3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide
CID 79631258
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol
CID 62373658
2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64827441
1-amino-4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 64821152
N-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine
CID 62270799
4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 61430663
2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one
CID 79804808

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol (CID 140587728) is (2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol is C[C@](N)(O)CN1CCN(CC2CC2)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is XXAXJFZEMZLVGG-NSHDSACASA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(12,15)9-14-6-4-13(5-7-14)8-10-2-3-10/h10,15H,2-9,12H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol?
(2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 213.32 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 140587728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).