1-[butyl-(3-chloro-2-hydroxypropyl)amino]-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol

C19H39ClN2O3 — CID 154451765

IUPAC1-[butyl-(3-chloro-2-hydroxypropyl)amino]-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol
SMILESCCCCN(CC(O)CCl)CC(O)COC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C19H39ClN2O3/c1-6-7-8-22(12-15(23)11-20)13-16(24)14-25-17-9-18(2,3)21-19(4,5)10-17/h15-17,21,23-24H,6-14H2,1-5H3
InChIKeyYMASHRKPVJRGES-UHFFFAOYSA-N
MW378.99 g/mol
LogP2.37
Rot. Bonds11

About 1-[butyl-(3-chloro-2-hydroxypropyl)amino]-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol

1-[butyl-(3-chloro-2-hydroxypropyl)amino]-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol (PubChem CID 154451765) has the molecular formula C19H39ClN2O3 and a molecular weight of 378.99 g/mol. Its IUPAC name is 1-[butyl-(3-chloro-2-hydroxypropyl)amino]-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1-[butyl-(3-chloro-2-hydroxypropyl)amino]-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol
PubChem CID154451765
Molecular FormulaC19H39ClN2O3
Molecular Weight378.99 g/mol
Exact Mass378.26
IUPAC Name1-[butyl-(3-chloro-2-hydroxypropyl)amino]-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol
SMILESCCCCN(CC(O)CCl)CC(O)COC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C19H39ClN2O3/c1-6-7-8-22(12-15(23)11-20)13-16(24)14-25-17-9-18(2,3)21-19(4,5)10-17/h15-17,21,23-24H,6-14H2,1-5H3
InChIKeyYMASHRKPVJRGES-UHFFFAOYSA-N
XLogP2.37
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.99
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropane-1,2-diol
CID 142047447
4-decoxy-2,2,6,6-tetramethylpiperidine
CID 141105994
1-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-chloropropan-2-ol
CID 22255945
2,2-dimethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxyhexan-1-ol
CID 139492039
1-[6-[bis(3-dodecoxy-2-hydroxypropyl)amino]hexyl-(3-dodecoxy-2-hydroxypropyl)amino]-3-dodecoxypropan-2-ol
CID 170444415
1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol
CID 141097112
1-chloro-3-[ethyl(3-hydroxypropyl)amino]propan-2-ol
CID 59110283
(2S)-3-[[(2S)-2,3-dihydroxypropyl]-dodecylamino]propane-1,2-diol
CID 91864838
1-(dibutylamino)undecan-2-ol
CID 101275149
ethane;1-[[(2R)-2-hydroxydodecyl]-pentylamino]dodecan-2-ol
CID 144985798
12-(2,2,6,6-tetramethylpiperidin-4-yl)oxydodecan-1-ol
CID 175888829
1-[2-hydroxybutyl(pentyl)amino]butan-2-ol
CID 23423727

Frequently Asked Questions

What is the IUPAC name of 1-[butyl-(3-chloro-2-hydroxypropyl)amino]-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol?
The IUPAC name of 1-[butyl-(3-chloro-2-hydroxypropyl)amino]-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol (CID 154451765) is 1-[butyl-(3-chloro-2-hydroxypropyl)amino]-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol.
What is the SMILES notation for 1-[butyl-(3-chloro-2-hydroxypropyl)amino]-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol?
The canonical SMILES for 1-[butyl-(3-chloro-2-hydroxypropyl)amino]-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol is CCCCN(CC(O)CCl)CC(O)COC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-[butyl-(3-chloro-2-hydroxypropyl)amino]-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol?
The InChIKey is YMASHRKPVJRGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39ClN2O3/c1-6-7-8-22(12-15(23)11-20)13-16(24)14-25-17-9-18(2,3)21-19(4,5)10-17/h15-17,21,23-24H,6-14H2,1-5H3.
What are the key properties of 1-[butyl-(3-chloro-2-hydroxypropyl)amino]-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol?
1-[butyl-(3-chloro-2-hydroxypropyl)amino]-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol has a molecular weight of 378.99 g/mol, XLogP of 2.37, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl-(3-chloro-2-hydroxypropyl)amino]-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol is sourced from PubChem (CID 154451765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).