3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol

C12H26N2O — CID 107163564

IUPAC3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol
SMILESCC(O)C(C)NCC1(C)CCN(C)CC1
InChIInChI=1S/C12H26N2O/c1-10(11(2)15)13-9-12(3)5-7-14(4)8-6-12/h10-11,13,15H,5-9H2,1-4H3
InChIKeyXKQFEKSKZARSQS-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds4

About 3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol

3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol (PubChem CID 107163564) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol
PubChem CID107163564
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol
SMILESCC(O)C(C)NCC1(C)CCN(C)CC1
InChIInChI=1S/C12H26N2O/c1-10(11(2)15)13-9-12(3)5-7-14(4)8-6-12/h10-11,13,15H,5-9H2,1-4H3
InChIKeyXKQFEKSKZARSQS-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,4-dimethylpiperidin-4-yl)methyl]but-3-en-2-amine
CID 107908367
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide
CID 107163556
3-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxybutanimidamide
CID 107164199
N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine
CID 107163173
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-propan-2-ylthiourea
CID 103975349
N-[(1,4-dimethylpiperidin-4-yl)methyl]pent-1-yn-3-amine
CID 107163558
2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
CID 107163376
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 113364654
ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate
CID 107163692
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methoxypropyl)propanamide
CID 107163797
4-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-2-hydroxybutanoic acid
CID 107841534
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-2-phenylacetic acid
CID 107164520

Frequently Asked Questions

What is the IUPAC name of 3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol?
The IUPAC name of 3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol (CID 107163564) is 3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol.
What is the SMILES notation for 3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol?
The canonical SMILES for 3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol is CC(O)C(C)NCC1(C)CCN(C)CC1.
What is the InChIKey of 3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol?
The InChIKey is XKQFEKSKZARSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(11(2)15)13-9-12(3)5-7-14(4)8-6-12/h10-11,13,15H,5-9H2,1-4H3.
What are the key properties of 3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol?
3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol is sourced from PubChem (CID 107163564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).