2-methyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butan-2-ol

C14H30N2O — CID 79355209

IUPAC2-methyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butan-2-ol
SMILESCC(C)NCC1CCCCN1CCC(C)(C)O
InChIInChI=1S/C14H30N2O/c1-12(2)15-11-13-7-5-6-9-16(13)10-8-14(3,4)17/h12-13,15,17H,5-11H2,1-4H3
InChIKeyJIQBPHZBZISGKP-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.00
Rot. Bonds6

About 2-methyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butan-2-ol

2-methyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butan-2-ol (PubChem CID 79355209) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-methyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butan-2-ol
PubChem CID79355209
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-methyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butan-2-ol
SMILESCC(C)NCC1CCCCN1CCC(C)(C)O
InChIInChI=1S/C14H30N2O/c1-12(2)15-11-13-7-5-6-9-16(13)10-8-14(3,4)17/h12-13,15,17H,5-11H2,1-4H3
InChIKeyJIQBPHZBZISGKP-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 114338264
2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol
CID 115316873
2-methyl-4-[2-(propylaminomethyl)piperidin-1-yl]butan-2-ol
CID 79355208
4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 79361314
2,2-dimethyl-6-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]hexanenitrile
CID 106714587
N-[(1-propylpyrrolidin-2-yl)methyl]propan-2-amine
CID 62579817
N-[[1-(2-ethoxyethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62581842
1-(3-hydroxy-3-methylbutyl)piperidine-2-carbothioamide
CID 79354742
N-[(1-but-2-enylpiperidin-2-yl)methyl]propan-2-amine
CID 77010204
N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62579624
N-[[1-(3-chloroprop-2-enyl)piperidin-2-yl]methyl]propan-2-amine
CID 77010212
N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581621

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butan-2-ol?
The IUPAC name of 2-methyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butan-2-ol (CID 79355209) is 2-methyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butan-2-ol is CC(C)NCC1CCCCN1CCC(C)(C)O.
What is the InChIKey of 2-methyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butan-2-ol?
The InChIKey is JIQBPHZBZISGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2)15-11-13-7-5-6-9-16(13)10-8-14(3,4)17/h12-13,15,17H,5-11H2,1-4H3.
What are the key properties of 2-methyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butan-2-ol?
2-methyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butan-2-ol has a molecular weight of 242.41 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butan-2-ol is sourced from PubChem (CID 79355209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).