1-chloro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-2-ol

C9H16ClNO2 — CID 164661066

IUPAC1-chloro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-2-ol
SMILESOC(CCl)CN1C2CCC1COC2
InChIInChI=1S/C9H16ClNO2/c10-3-9(12)4-11-7-1-2-8(11)6-13-5-7/h7-9,12H,1-6H2
InChIKeyVFNSJNLQKPGODL-UHFFFAOYSA-N
MW205.68 g/mol
LogP0.45
Rot. Bonds3

About 1-chloro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-2-ol

1-chloro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-2-ol (PubChem CID 164661066) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 1-chloro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-2-ol
PubChem CID164661066
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name1-chloro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-2-ol
SMILESOC(CCl)CN1C2CCC1COC2
InChIInChI=1S/C9H16ClNO2/c10-3-9(12)4-11-7-1-2-8(11)6-13-5-7/h7-9,12H,1-6H2
InChIKeyVFNSJNLQKPGODL-UHFFFAOYSA-N
XLogP0.45
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-2-ol
CID 131000963
8-(2-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 170083724
8-[(2R)-3-methoxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 170083312
1-chloro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-ol
CID 112561755
ethane;8-ethyl-3-oxa-8-azabicyclo[3.2.1]octane
CID 169243186
1-chloro-3-morpholin-4-ylpropan-2-ol
CID 10080987
1-chloro-3-(6-methyl-1,4-oxazepan-4-yl)propan-2-ol
CID 130927583
1-chloro-3-(oxiran-2-yl)propan-2-ol
CID 24755102
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)butan-2-ol
CID 61233729
4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)butan-1-amine
CID 170104074
(2S)-1-chloro-3-piperidin-1-ylpropan-2-ol
CID 102309781
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-chloropropan-2-ol
CID 112561296

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-2-ol?
The IUPAC name of 1-chloro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-2-ol (CID 164661066) is 1-chloro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-2-ol?
The canonical SMILES for 1-chloro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-2-ol is OC(CCl)CN1C2CCC1COC2.
What is the InChIKey of 1-chloro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-2-ol?
The InChIKey is VFNSJNLQKPGODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c10-3-9(12)4-11-7-1-2-8(11)6-13-5-7/h7-9,12H,1-6H2.
What are the key properties of 1-chloro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-2-ol?
1-chloro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-2-ol has a molecular weight of 205.68 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-2-ol is sourced from PubChem (CID 164661066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).