3-[[4-[(tert-butylamino)methyl]piperidin-1-yl]methyl]pentan-3-ol

C16H34N2O — CID 114496949

IUPAC3-[[4-[(tert-butylamino)methyl]piperidin-1-yl]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1CCC(CNC(C)(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-6-16(19,7-2)13-18-10-8-14(9-11-18)12-17-15(3,4)5/h14,17,19H,6-13H2,1-5H3
InChIKeyZUQNHHSVPNYKAL-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.64
Rot. Bonds6

About 3-[[4-[(tert-butylamino)methyl]piperidin-1-yl]methyl]pentan-3-ol

3-[[4-[(tert-butylamino)methyl]piperidin-1-yl]methyl]pentan-3-ol (PubChem CID 114496949) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 3-[[4-[(tert-butylamino)methyl]piperidin-1-yl]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[4-[(tert-butylamino)methyl]piperidin-1-yl]methyl]pentan-3-ol
PubChem CID114496949
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name3-[[4-[(tert-butylamino)methyl]piperidin-1-yl]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1CCC(CNC(C)(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-6-16(19,7-2)13-18-10-8-14(9-11-18)12-17-15(3,4)5/h14,17,19H,6-13H2,1-5H3
InChIKeyZUQNHHSVPNYKAL-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[4-[(tert-butylamino)methyl]piperidin-1-yl]methyl]pentan-3-ol with MolForge

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Related Compounds

1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114496950
N-[[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]methyl]acetamide
CID 103931700
2-methyl-N-[(1-pentylpiperidin-4-yl)methyl]propan-2-amine
CID 62592225
4-[4-[(tert-butylamino)methyl]piperidin-1-yl]butan-1-ol
CID 63848432
2-[4-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethylacetamide
CID 63849644
3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-ol
CID 103935797
N-[(1-cyclohexylpiperidin-4-yl)methyl]-2-methylpropan-2-amine
CID 63849814
2-methyl-N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593638
N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62512541
1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63987820
N-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine
CID 63494021
N-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62592756

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(tert-butylamino)methyl]piperidin-1-yl]methyl]pentan-3-ol?
The IUPAC name of 3-[[4-[(tert-butylamino)methyl]piperidin-1-yl]methyl]pentan-3-ol (CID 114496949) is 3-[[4-[(tert-butylamino)methyl]piperidin-1-yl]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[4-[(tert-butylamino)methyl]piperidin-1-yl]methyl]pentan-3-ol?
The canonical SMILES for 3-[[4-[(tert-butylamino)methyl]piperidin-1-yl]methyl]pentan-3-ol is CCC(O)(CC)CN1CCC(CNC(C)(C)C)CC1.
What is the InChIKey of 3-[[4-[(tert-butylamino)methyl]piperidin-1-yl]methyl]pentan-3-ol?
The InChIKey is ZUQNHHSVPNYKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-16(19,7-2)13-18-10-8-14(9-11-18)12-17-15(3,4)5/h14,17,19H,6-13H2,1-5H3.
What are the key properties of 3-[[4-[(tert-butylamino)methyl]piperidin-1-yl]methyl]pentan-3-ol?
3-[[4-[(tert-butylamino)methyl]piperidin-1-yl]methyl]pentan-3-ol has a molecular weight of 270.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(tert-butylamino)methyl]piperidin-1-yl]methyl]pentan-3-ol is sourced from PubChem (CID 114496949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).