2-methyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]butan-2-ol

C15H25N3O — CID 65108384

IUPAC2-methyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]butan-2-ol
SMILESCCC(C)(O)CNC1CCN(c2ccncc2)CC1
InChIInChI=1S/C15H25N3O/c1-3-15(2,19)12-17-13-6-10-18(11-7-13)14-4-8-16-9-5-14/h4-5,8-9,13,17,19H,3,6-7,10-12H2,1-2H3
InChIKeyLNSFPAIPJSPXFQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.80
Rot. Bonds5

About 2-methyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]butan-2-ol

2-methyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]butan-2-ol (PubChem CID 65108384) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]butan-2-ol
PubChem CID65108384
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-methyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]butan-2-ol
SMILESCCC(C)(O)CNC1CCN(c2ccncc2)CC1
InChIInChI=1S/C15H25N3O/c1-3-15(2,19)12-17-13-6-10-18(11-7-13)14-4-8-16-9-5-14/h4-5,8-9,13,17,19H,3,6-7,10-12H2,1-2H3
InChIKeyLNSFPAIPJSPXFQ-UHFFFAOYSA-N
XLogP1.80
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]butan-2-ol with MolForge

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Related Compounds

N-(2-methyl-2-methylsulfonylpropyl)-1-pyridin-4-ylpiperidin-4-amine
CID 79563479
3-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]pentan-1-ol
CID 106172761
N-(cyclopropylmethyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166652
2-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]propan-1-ol
CID 65034705
N-[(2-methylcyclopropyl)methyl]-1-pyridin-4-ylpiperidin-4-amine
CID 113463722
N'-ethyl-N'-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)ethane-1,2-diamine
CID 55097459
N-(3-ethoxypropyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166978
2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol
CID 65107935
2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethylurea
CID 83110952
N'-(1-pyridin-4-ylpiperidin-4-yl)butane-1,4-diamine
CID 60895619
2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol
CID 103904032
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine
CID 79231652

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]butan-2-ol?
The IUPAC name of 2-methyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]butan-2-ol (CID 65108384) is 2-methyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]butan-2-ol is CCC(C)(O)CNC1CCN(c2ccncc2)CC1.
What is the InChIKey of 2-methyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]butan-2-ol?
The InChIKey is LNSFPAIPJSPXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-15(2,19)12-17-13-6-10-18(11-7-13)14-4-8-16-9-5-14/h4-5,8-9,13,17,19H,3,6-7,10-12H2,1-2H3.
What are the key properties of 2-methyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]butan-2-ol?
2-methyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]butan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 65108384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).