2-(ethylamino)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol

C15H26N4O — CID 64792181

IUPAC2-(ethylamino)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
SMILESCCNC(C)(CO)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H26N4O/c1-3-17-15(2,13-20)12-18-8-10-19(11-9-18)14-6-4-5-7-16-14/h4-7,17,20H,3,8-13H2,1-2H3
InChIKeyDOFLFXCIOJENOB-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.56
Rot. Bonds6

About 2-(ethylamino)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol

2-(ethylamino)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol (PubChem CID 64792181) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
PubChem CID64792181
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-(ethylamino)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
SMILESCCNC(C)(CO)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H26N4O/c1-3-17-15(2,13-20)12-18-8-10-19(11-9-18)14-6-4-5-7-16-14/h4-7,17,20H,3,8-13H2,1-2H3
InChIKeyDOFLFXCIOJENOB-UHFFFAOYSA-N
XLogP0.56
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 64792184
2-(ethylamino)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 62832845
N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine
CID 66452314
2-methyl-1-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 66336663
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylpropan-1-ol
CID 64789691
N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 174676265
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
2-(propylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 64792358
4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112858073
2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]propan-2-amine
CID 62423507
N,4,4-trimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-3-amine
CID 62625122

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol (CID 64792181) is 2-(ethylamino)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol is CCNC(C)(CO)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(ethylamino)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol?
The InChIKey is DOFLFXCIOJENOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-17-15(2,13-20)12-18-8-10-19(11-9-18)14-6-4-5-7-16-14/h4-7,17,20H,3,8-13H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol?
2-(ethylamino)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 64792181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).