(2R)-3-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-piperidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol

C18H34N2O — CID 129374759

IUPAC(2R)-3-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-piperidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol
SMILESCC1(C)[C@@H]2CC[C@]1(C)[C@@]([C@@H](CN)CO)(N1CCCCC1)C2
InChIInChI=1S/C18H34N2O/c1-16(2)14-7-8-17(16,3)18(11-14,15(12-19)13-21)20-9-5-4-6-10-20/h14-15,21H,4-13,19H2,1-3H3/t14-,15+,17+,18-/m1/s1
InChIKeyBCNUOSDFXNECOT-MXSMSXNCSA-N
MW294.48 g/mol
LogP2.62
Rot. Bonds4

About (2R)-3-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-piperidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol

(2R)-3-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-piperidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol (PubChem CID 129374759) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is (2R)-3-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-piperidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol.

Molecular Properties

Compound Name(2R)-3-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-piperidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol
PubChem CID129374759
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name(2R)-3-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-piperidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol
SMILESCC1(C)[C@@H]2CC[C@]1(C)[C@@]([C@@H](CN)CO)(N1CCCCC1)C2
InChIInChI=1S/C18H34N2O/c1-16(2)14-7-8-17(16,3)18(11-14,15(12-19)13-21)20-9-5-4-6-10-20/h14-15,21H,4-13,19H2,1-3H3/t14-,15+,17+,18-/m1/s1
InChIKeyBCNUOSDFXNECOT-MXSMSXNCSA-N
XLogP2.62
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-3-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-piperidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-amino-2-[(1S,2R,4S)-1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol
CID 129370284
(2R)-3-amino-2-[(1R,2S,4S)-1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol
CID 124853032
(2R)-3-amino-2-[(1R,2R,4R)-1,7,7-trimethyl-2-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol
CID 129370289
ethyl 2-amino-2-(1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl)acetate
CID 102538577
3-amino-2-(1-piperidin-1-ylcyclopentyl)propan-1-ol
CID 102538547
ethyl (2R)-2-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]acetate
CID 124747559
2-(hydroxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10130254
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 139833586
(1R,2R,4S)-1,7,7-trimethyl-2-(3-pyrrolidin-1-ylpropyl)bicyclo[2.2.1]heptan-2-ol
CID 98288766
2-ethyl-1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane
CID 21014915
2-(1-adamantyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 141298497
[1-(azocan-1-yl)-3-methylcyclopentyl]methanamine
CID 64501768

Frequently Asked Questions

What is the IUPAC name of (2R)-3-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-piperidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol?
The IUPAC name of (2R)-3-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-piperidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol (CID 129374759) is (2R)-3-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-piperidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol.
What is the SMILES notation for (2R)-3-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-piperidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol?
The canonical SMILES for (2R)-3-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-piperidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol is CC1(C)[C@@H]2CC[C@]1(C)[C@@]([C@@H](CN)CO)(N1CCCCC1)C2.
What is the InChIKey of (2R)-3-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-piperidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol?
The InChIKey is BCNUOSDFXNECOT-MXSMSXNCSA-N. The full InChI is InChI=1S/C18H34N2O/c1-16(2)14-7-8-17(16,3)18(11-14,15(12-19)13-21)20-9-5-4-6-10-20/h14-15,21H,4-13,19H2,1-3H3/t14-,15+,17+,18-/m1/s1.
What are the key properties of (2R)-3-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-piperidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol?
(2R)-3-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-piperidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol has a molecular weight of 294.48 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-piperidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol is sourced from PubChem (CID 129374759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).