1-butoxy-3-[3-[(tert-butylamino)methyl]piperidin-1-yl]propan-2-ol

C17H36N2O2 — CID 107264399

IUPAC1-butoxy-3-[3-[(tert-butylamino)methyl]piperidin-1-yl]propan-2-ol
SMILESCCCCOCC(O)CN1CCCC(CNC(C)(C)C)C1
InChIInChI=1S/C17H36N2O2/c1-5-6-10-21-14-16(20)13-19-9-7-8-15(12-19)11-18-17(2,3)4/h15-16,18,20H,5-14H2,1-4H3
InChIKeyTVZNNUOJVGPQTP-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.26
Rot. Bonds9

About 1-butoxy-3-[3-[(tert-butylamino)methyl]piperidin-1-yl]propan-2-ol

1-butoxy-3-[3-[(tert-butylamino)methyl]piperidin-1-yl]propan-2-ol (PubChem CID 107264399) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-butoxy-3-[3-[(tert-butylamino)methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[3-[(tert-butylamino)methyl]piperidin-1-yl]propan-2-ol
PubChem CID107264399
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name1-butoxy-3-[3-[(tert-butylamino)methyl]piperidin-1-yl]propan-2-ol
SMILESCCCCOCC(O)CN1CCCC(CNC(C)(C)C)C1
InChIInChI=1S/C17H36N2O2/c1-5-6-10-21-14-16(20)13-19-9-7-8-15(12-19)11-18-17(2,3)4/h15-16,18,20H,5-14H2,1-4H3
InChIKeyTVZNNUOJVGPQTP-UHFFFAOYSA-N
XLogP2.26
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol
CID 107264161
1-butoxy-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 107264400
N-[[1-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 55220646
1-butoxy-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 107264166
2-[1-(3-butoxy-2-hydroxypropyl)piperidin-3-yl]acetic acid
CID 107263568
2-[1-(3-butoxy-2-hydroxypropyl)piperidin-3-yl]-2-methylpropanoic acid
CID 107263626
1-butoxy-3-[3-(dimethylamino)piperidin-1-yl]propan-2-ol
CID 107263914
1-(3-butoxy-2-hydroxypropyl)-N-methylpiperidine-3-carboxamide
CID 107263994
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-butoxypropan-2-ol
CID 107263746
N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62593600
1-ethoxy-3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63932403
1-butoxy-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol
CID 107263942

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[3-[(tert-butylamino)methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-butoxy-3-[3-[(tert-butylamino)methyl]piperidin-1-yl]propan-2-ol (CID 107264399) is 1-butoxy-3-[3-[(tert-butylamino)methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[3-[(tert-butylamino)methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[3-[(tert-butylamino)methyl]piperidin-1-yl]propan-2-ol is CCCCOCC(O)CN1CCCC(CNC(C)(C)C)C1.
What is the InChIKey of 1-butoxy-3-[3-[(tert-butylamino)methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is TVZNNUOJVGPQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-5-6-10-21-14-16(20)13-19-9-7-8-15(12-19)11-18-17(2,3)4/h15-16,18,20H,5-14H2,1-4H3.
What are the key properties of 1-butoxy-3-[3-[(tert-butylamino)methyl]piperidin-1-yl]propan-2-ol?
1-butoxy-3-[3-[(tert-butylamino)methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 300.49 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[3-[(tert-butylamino)methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 107264399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).