(3S,5R)-4-piperidin-1-yladamantan-1-ol;hydrochloride

C15H26ClNO — CID 163325638

IUPAC(3S,5R)-4-piperidin-1-yladamantan-1-ol;hydrochloride
SMILESCl.OC12CC3C[C@H](C1)C(N1CCCCC1)[C@@H](C3)C2
InChIInChI=1S/C15H25NO.ClH/c17-15-8-11-6-12(9-15)14(13(7-11)10-15)16-4-2-1-3-5-16;/h11-14,17H,1-10H2;1H/t11?,12-,13+,14?,15?;
InChIKeyMHTIUTXLXSDKTK-ALSAXKFWSA-N
MW271.83 g/mol
LogP2.83
Rot. Bonds1

About (3S,5R)-4-piperidin-1-yladamantan-1-ol;hydrochloride

(3S,5R)-4-piperidin-1-yladamantan-1-ol;hydrochloride (PubChem CID 163325638) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is (3S,5R)-4-piperidin-1-yladamantan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S,5R)-4-piperidin-1-yladamantan-1-ol;hydrochloride
PubChem CID163325638
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC Name(3S,5R)-4-piperidin-1-yladamantan-1-ol;hydrochloride
SMILESCl.OC12CC3C[C@H](C1)C(N1CCCCC1)[C@@H](C3)C2
InChIInChI=1S/C15H25NO.ClH/c17-15-8-11-6-12(9-15)14(13(7-11)10-15)16-4-2-1-3-5-16;/h11-14,17H,1-10H2;1H/t11?,12-,13+,14?,15?;
InChIKeyMHTIUTXLXSDKTK-ALSAXKFWSA-N
XLogP2.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-adamantyl)pyrrolidine;hydrochloride
CID 12828801
4-aminoadamantan-1-ol;hydrate;hydrochloride
CID 174624676
2-(5-hydroxy-2-adamantyl)-8a-methyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one
CID 44599218
4-(3-methyl-4-propan-2-ylimidazolidin-1-yl)adamantan-1-ol
CID 141205367
adamantan-1-ol;azane
CID 66728775
1-(5-hydroxy-2-adamantyl)-3,4,4-trimethylimidazolidin-2-one
CID 57495541
1-azabicyclo[3.3.1]nonan-5-ol;cyclohexane;methanol;tricyclo[3.3.1.03,7]nonan-1-ol;yttrium
CID 161401885
(5S,7R)-3-pyrrolidin-1-yladamantan-1-ol;hydrochloride
CID 134128984
2-[(1S,3S)-5-hydroxy-2-adamantyl]-4,4-dimethyl-3-oxodiazetidine-1-carboxylic acid
CID 123257712
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]azepane
CID 10774159
1-azatricyclo[5.4.1.04,12]dodecane
CID 45098480
(5-hydroxy-2-adamantyl) prop-2-enoate
CID 22986497

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-4-piperidin-1-yladamantan-1-ol;hydrochloride?
The IUPAC name of (3S,5R)-4-piperidin-1-yladamantan-1-ol;hydrochloride (CID 163325638) is (3S,5R)-4-piperidin-1-yladamantan-1-ol;hydrochloride.
What is the SMILES notation for (3S,5R)-4-piperidin-1-yladamantan-1-ol;hydrochloride?
The canonical SMILES for (3S,5R)-4-piperidin-1-yladamantan-1-ol;hydrochloride is Cl.OC12CC3C[C@H](C1)C(N1CCCCC1)[C@@H](C3)C2.
What is the InChIKey of (3S,5R)-4-piperidin-1-yladamantan-1-ol;hydrochloride?
The InChIKey is MHTIUTXLXSDKTK-ALSAXKFWSA-N. The full InChI is InChI=1S/C15H25NO.ClH/c17-15-8-11-6-12(9-15)14(13(7-11)10-15)16-4-2-1-3-5-16;/h11-14,17H,1-10H2;1H/t11?,12-,13+,14?,15?;.
What are the key properties of (3S,5R)-4-piperidin-1-yladamantan-1-ol;hydrochloride?
(3S,5R)-4-piperidin-1-yladamantan-1-ol;hydrochloride has a molecular weight of 271.83 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-4-piperidin-1-yladamantan-1-ol;hydrochloride is sourced from PubChem (CID 163325638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).