1-(2-bicyclo[2.2.1]heptanylmethoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride

C17H32ClNO2 — CID 45283743

IUPAC1-(2-bicyclo[2.2.1]heptanylmethoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCC1CCCN(CC(O)COCC2CC3CCC2C3)C1.Cl
InChIInChI=1S/C17H31NO2.ClH/c1-13-3-2-6-18(9-13)10-17(19)12-20-11-16-8-14-4-5-15(16)7-14;/h13-17,19H,2-12H2,1H3;1H
InChIKeyQIWWQIQGUUSCIP-UHFFFAOYSA-N
MW317.90 g/mol
LogP2.95
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]heptanylmethoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride

1-(2-bicyclo[2.2.1]heptanylmethoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride (PubChem CID 45283743) has the molecular formula C17H32ClNO2 and a molecular weight of 317.90 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride
PubChem CID45283743
Molecular FormulaC17H32ClNO2
Molecular Weight317.90 g/mol
Exact Mass317.21
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCC1CCCN(CC(O)COCC2CC3CCC2C3)C1.Cl
InChIInChI=1S/C17H31NO2.ClH/c1-13-3-2-6-18(9-13)10-17(19)12-20-11-16-8-14-4-5-15(16)7-14;/h13-17,19H,2-12H2,1H3;1H
InChIKeyQIWWQIQGUUSCIP-UHFFFAOYSA-N
XLogP2.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.90
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bicyclo[2.2.1]heptanylmethoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride with MolForge

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Related Compounds

(2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 124725305
(2S)-1-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 98184723
(2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 98734841
(2R)-1-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 98184779
(2R)-1-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 98184781
(2S)-1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-morpholin-4-ylpropan-2-ol
CID 98675742
(2R)-1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 98734867
(2S)-1-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 98184974
(2R)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 98734804
(2R)-1-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 98184757
(2S)-1-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 98184750
(2S)-1-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethoxy]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 98588160

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride (CID 45283743) is 1-(2-bicyclo[2.2.1]heptanylmethoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride is CC1CCCN(CC(O)COCC2CC3CCC2C3)C1.Cl.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The InChIKey is QIWWQIQGUUSCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2.ClH/c1-13-3-2-6-18(9-13)10-17(19)12-20-11-16-8-14-4-5-15(16)7-14;/h13-17,19H,2-12H2,1H3;1H.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
1-(2-bicyclo[2.2.1]heptanylmethoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride has a molecular weight of 317.90 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 45283743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).