1-amino-2-methyl-4-(4-propylpiperazin-1-yl)pentan-2-ol

C13H29N3O — CID 64820469

IUPAC1-amino-2-methyl-4-(4-propylpiperazin-1-yl)pentan-2-ol
SMILESCCCN1CCN(C(C)CC(C)(O)CN)CC1
InChIInChI=1S/C13H29N3O/c1-4-5-15-6-8-16(9-7-15)12(2)10-13(3,17)11-14/h12,17H,4-11,14H2,1-3H3
InChIKeyUXOUGVRFLMCPJS-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.50
Rot. Bonds6

About 1-amino-2-methyl-4-(4-propylpiperazin-1-yl)pentan-2-ol

1-amino-2-methyl-4-(4-propylpiperazin-1-yl)pentan-2-ol (PubChem CID 64820469) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-amino-2-methyl-4-(4-propylpiperazin-1-yl)pentan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-4-(4-propylpiperazin-1-yl)pentan-2-ol
PubChem CID64820469
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name1-amino-2-methyl-4-(4-propylpiperazin-1-yl)pentan-2-ol
SMILESCCCN1CCN(C(C)CC(C)(O)CN)CC1
InChIInChI=1S/C13H29N3O/c1-4-5-15-6-8-16(9-7-15)12(2)10-13(3,17)11-14/h12,17H,4-11,14H2,1-3H3
InChIKeyUXOUGVRFLMCPJS-UHFFFAOYSA-N
XLogP0.50
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol
CID 64820717
1-amino-4-(4,4-dimethylpiperidin-1-yl)-2-methylpentan-2-ol
CID 64818490
2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanamide
CID 64726163
2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol
CID 64796479
4-(4-propylpiperazin-1-yl)pentan-1-amine
CID 62423620
2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid
CID 64725762
2,4-dimethyl-2-(4-propylpiperazin-1-yl)pentan-1-amine
CID 24705230
2-methyl-3-(4-propylpiperazin-1-yl)butan-1-amine
CID 79414609
1-amino-2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]pentan-2-ol
CID 64820509
4-methoxy-4-methyl-2-(4-propylpiperazin-1-yl)pentan-1-amine
CID 106675511
5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254432
2,2-dimethyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 62263340

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-4-(4-propylpiperazin-1-yl)pentan-2-ol?
The IUPAC name of 1-amino-2-methyl-4-(4-propylpiperazin-1-yl)pentan-2-ol (CID 64820469) is 1-amino-2-methyl-4-(4-propylpiperazin-1-yl)pentan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-4-(4-propylpiperazin-1-yl)pentan-2-ol?
The canonical SMILES for 1-amino-2-methyl-4-(4-propylpiperazin-1-yl)pentan-2-ol is CCCN1CCN(C(C)CC(C)(O)CN)CC1.
What is the InChIKey of 1-amino-2-methyl-4-(4-propylpiperazin-1-yl)pentan-2-ol?
The InChIKey is UXOUGVRFLMCPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-4-5-15-6-8-16(9-7-15)12(2)10-13(3,17)11-14/h12,17H,4-11,14H2,1-3H3.
What are the key properties of 1-amino-2-methyl-4-(4-propylpiperazin-1-yl)pentan-2-ol?
1-amino-2-methyl-4-(4-propylpiperazin-1-yl)pentan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-4-(4-propylpiperazin-1-yl)pentan-2-ol is sourced from PubChem (CID 64820469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).