2-amino-2-cyclopropyl-3-(4-phenylpiperazin-1-yl)propan-1-ol

C16H25N3O — CID 64792159

IUPAC2-amino-2-cyclopropyl-3-(4-phenylpiperazin-1-yl)propan-1-ol
SMILESNC(CO)(CN1CCN(c2ccccc2)CC1)C1CC1
InChIInChI=1S/C16H25N3O/c17-16(13-20,14-6-7-14)12-18-8-10-19(11-9-18)15-4-2-1-3-5-15/h1-5,14,20H,6-13,17H2
InChIKeyNTOIOMUGVCKCOM-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.91
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-(4-phenylpiperazin-1-yl)propan-1-ol

2-amino-2-cyclopropyl-3-(4-phenylpiperazin-1-yl)propan-1-ol (PubChem CID 64792159) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(4-phenylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(4-phenylpiperazin-1-yl)propan-1-ol
PubChem CID64792159
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-amino-2-cyclopropyl-3-(4-phenylpiperazin-1-yl)propan-1-ol
SMILESNC(CO)(CN1CCN(c2ccccc2)CC1)C1CC1
InChIInChI=1S/C16H25N3O/c17-16(13-20,14-6-7-14)12-18-8-10-19(11-9-18)15-4-2-1-3-5-15/h1-5,14,20H,6-13,17H2
InChIKeyNTOIOMUGVCKCOM-UHFFFAOYSA-N
XLogP0.91
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-cyclopropyl-3-(4,4-diethylpiperidin-1-yl)propan-1-ol
CID 64791296
4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 10684726
2,2-dimethyl-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 79627852
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine
CID 60866133
2-amino-3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropan-1-ol
CID 64826847
4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine
CID 91828439
2-amino-2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-ol
CID 103540837
N'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide
CID 57368864
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
4-tert-butyl-1-phenylpiperidine
CID 612454
(2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid
CID 177277413
1-phenyl-4-(3,3,3-trifluoropropyl)piperazine
CID 141293309

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(4-phenylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-3-(4-phenylpiperazin-1-yl)propan-1-ol (CID 64792159) is 2-amino-2-cyclopropyl-3-(4-phenylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(4-phenylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(4-phenylpiperazin-1-yl)propan-1-ol is NC(CO)(CN1CCN(c2ccccc2)CC1)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(4-phenylpiperazin-1-yl)propan-1-ol?
The InChIKey is NTOIOMUGVCKCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-16(13-20,14-6-7-14)12-18-8-10-19(11-9-18)15-4-2-1-3-5-15/h1-5,14,20H,6-13,17H2.
What are the key properties of 2-amino-2-cyclopropyl-3-(4-phenylpiperazin-1-yl)propan-1-ol?
2-amino-2-cyclopropyl-3-(4-phenylpiperazin-1-yl)propan-1-ol has a molecular weight of 275.40 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(4-phenylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 64792159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).