1-[3-(tert-butylamino)propyl]-3-methylpiperidin-4-ol

C13H28N2O — CID 114681079

IUPAC1-[3-(tert-butylamino)propyl]-3-methylpiperidin-4-ol
SMILESCC1CN(CCCNC(C)(C)C)CCC1O
InChIInChI=1S/C13H28N2O/c1-11-10-15(9-6-12(11)16)8-5-7-14-13(2,3)4/h11-12,14,16H,5-10H2,1-4H3
InChIKeyHRIYUEZTKYIBHF-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds4

About 1-[3-(tert-butylamino)propyl]-3-methylpiperidin-4-ol

1-[3-(tert-butylamino)propyl]-3-methylpiperidin-4-ol (PubChem CID 114681079) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[3-(tert-butylamino)propyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-(tert-butylamino)propyl]-3-methylpiperidin-4-ol
PubChem CID114681079
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-[3-(tert-butylamino)propyl]-3-methylpiperidin-4-ol
SMILESCC1CN(CCCNC(C)(C)C)CCC1O
InChIInChI=1S/C13H28N2O/c1-11-10-15(9-6-12(11)16)8-5-7-14-13(2,3)4/h11-12,14,16H,5-10H2,1-4H3
InChIKeyHRIYUEZTKYIBHF-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Amino-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 3161650
3-Methylpiperidin-4-ol
CID 4713502
rac-(3R,4S)-3-methylpiperidin-4-ol
CID 7446786
2,2-Dimethylpiperidin-4-ol hydrochloride
CID 56924249
3,5-Dimethylpiperidin-4-ol hydrochloride
CID 67315068
1-(Ethylamino)-3-(4-methyl-1-piperidinyl)-2-propanol
CID 2836730
1-t-Butyl-3-methyl-4-hydroxypiperidine
CID 3613566
2,5-Trimethyl-4-piperidinol
CID 148220
3,5-Dimethylpiperidin-4-ol
CID 21973778
2,2-Dimethylpiperidin-4-ol
CID 23009064
cis-3-Aminomethyl-4-hydroxypiperidine
CID 129783275
3-Methylaminomethyl-4-hydroxypiperidine
CID 129783331

Frequently Asked Questions

What is the IUPAC name of 1-[3-(tert-butylamino)propyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[3-(tert-butylamino)propyl]-3-methylpiperidin-4-ol (CID 114681079) is 1-[3-(tert-butylamino)propyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[3-(tert-butylamino)propyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[3-(tert-butylamino)propyl]-3-methylpiperidin-4-ol is CC1CN(CCCNC(C)(C)C)CCC1O.
What is the InChIKey of 1-[3-(tert-butylamino)propyl]-3-methylpiperidin-4-ol?
The InChIKey is HRIYUEZTKYIBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11-10-15(9-6-12(11)16)8-5-7-14-13(2,3)4/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 1-[3-(tert-butylamino)propyl]-3-methylpiperidin-4-ol?
1-[3-(tert-butylamino)propyl]-3-methylpiperidin-4-ol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tert-butylamino)propyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114681079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).