2-(propylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butan-1-ol

C14H31N3O — CID 64791406

IUPAC2-(propylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butan-1-ol
SMILESCCCNC(CO)CCN1CCN(C)C(C)(C)C1
InChIInChI=1S/C14H31N3O/c1-5-7-15-13(11-18)6-8-17-10-9-16(4)14(2,3)12-17/h13,15,18H,5-12H2,1-4H3
InChIKeyNBNVNHBSVPFDEP-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.76
Rot. Bonds7

About 2-(propylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butan-1-ol

2-(propylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butan-1-ol (PubChem CID 64791406) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-(propylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-(propylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butan-1-ol
PubChem CID64791406
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name2-(propylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butan-1-ol
SMILESCCCNC(CO)CCN1CCN(C)C(C)(C)C1
InChIInChI=1S/C14H31N3O/c1-5-7-15-13(11-18)6-8-17-10-9-16(4)14(2,3)12-17/h13,15,18H,5-12H2,1-4H3
InChIKeyNBNVNHBSVPFDEP-UHFFFAOYSA-N
XLogP0.76
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine
CID 63610034
N-propyl-6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine
CID 63611239
4-(azocan-1-yl)-2-(propylamino)butan-1-ol
CID 64798605
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(propylamino)butan-1-ol
CID 64788204
N-[1-cyclopropyl-2-(3,3,4-trimethylpiperazin-1-yl)ethyl]propan-1-amine
CID 63913711
2-(propylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanenitrile
CID 63634360
ethyl 2-amino-4-(3,3,4-trimethylpiperazin-1-yl)butanoate
CID 55215441
2-(ethylamino)-4-(4-methylpiperazin-1-yl)butan-1-ol
CID 64797363
4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butan-1-ol
CID 64791854
5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-ol
CID 63635754
2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol
CID 64796269
N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)heptan-4-amine
CID 63610035

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butan-1-ol?
The IUPAC name of 2-(propylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butan-1-ol (CID 64791406) is 2-(propylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butan-1-ol.
What is the SMILES notation for 2-(propylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butan-1-ol?
The canonical SMILES for 2-(propylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butan-1-ol is CCCNC(CO)CCN1CCN(C)C(C)(C)C1.
What is the InChIKey of 2-(propylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butan-1-ol?
The InChIKey is NBNVNHBSVPFDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-5-7-15-13(11-18)6-8-17-10-9-16(4)14(2,3)12-17/h13,15,18H,5-12H2,1-4H3.
What are the key properties of 2-(propylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butan-1-ol?
2-(propylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butan-1-ol is sourced from PubChem (CID 64791406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).