(5S,7R)-3-pyrrolidin-1-yladamantan-1-ol;hydrochloride

C14H24ClNO — CID 134128984

IUPAC(5S,7R)-3-pyrrolidin-1-yladamantan-1-ol;hydrochloride
SMILESCl.OC12C[C@H]3C[C@@H](C1)CC(N1CCCC1)(C3)C2
InChIInChI=1S/C14H23NO.ClH/c16-14-8-11-5-12(9-14)7-13(6-11,10-14)15-3-1-2-4-15;/h11-12,16H,1-10H2;1H/t11-,12+,13?,14?;
InChIKeyWNVWRHZZRXKICM-VLPUPSJZSA-N
MW257.80 g/mol
LogP2.59
Rot. Bonds1

About (5S,7R)-3-pyrrolidin-1-yladamantan-1-ol;hydrochloride

(5S,7R)-3-pyrrolidin-1-yladamantan-1-ol;hydrochloride (PubChem CID 134128984) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is (5S,7R)-3-pyrrolidin-1-yladamantan-1-ol;hydrochloride.

Molecular Properties

Compound Name(5S,7R)-3-pyrrolidin-1-yladamantan-1-ol;hydrochloride
PubChem CID134128984
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC Name(5S,7R)-3-pyrrolidin-1-yladamantan-1-ol;hydrochloride
SMILESCl.OC12C[C@H]3C[C@@H](C1)CC(N1CCCC1)(C3)C2
InChIInChI=1S/C14H23NO.ClH/c16-14-8-11-5-12(9-14)7-13(6-11,10-14)15-3-1-2-4-15;/h11-12,16H,1-10H2;1H/t11-,12+,13?,14?;
InChIKeyWNVWRHZZRXKICM-VLPUPSJZSA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyrrolidin-1-yltricyclo[3.3.1.03,7]nonan-3-amine
CID 59374967
1-(1-pyrrolidin-1-yl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone
CID 59374976
3-(3-hydroxy-1-adamantyl)adamantan-1-ol
CID 14984938
1,3-bis(1-adamantyl)imidazolidine;hydrochloride
CID 131637532
(5S,7R)-3-(3-chloro-1,2,4-triazol-1-yl)adamantan-1-ol
CID 709729
(5R,7R)-3-chloroadamantan-1-ol
CID 6932408
(2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-pyrrolidin-1-ylethanone
CID 11173505
3-tert-butyladamantan-1-ol
CID 59863856
2-(azepan-1-yl)-N-[1-(3-hydroxy-1-adamantyl)ethyl]acetamide
CID 131947274
(3S,5R)-4-piperidin-1-yladamantan-1-ol;hydrochloride
CID 163325638
(5S,7R)-3-(propan-2-ylamino)adamantan-1-ol
CID 159589364
adamantan-1-ol;azane
CID 66728775

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-3-pyrrolidin-1-yladamantan-1-ol;hydrochloride?
The IUPAC name of (5S,7R)-3-pyrrolidin-1-yladamantan-1-ol;hydrochloride (CID 134128984) is (5S,7R)-3-pyrrolidin-1-yladamantan-1-ol;hydrochloride.
What is the SMILES notation for (5S,7R)-3-pyrrolidin-1-yladamantan-1-ol;hydrochloride?
The canonical SMILES for (5S,7R)-3-pyrrolidin-1-yladamantan-1-ol;hydrochloride is Cl.OC12C[C@H]3C[C@@H](C1)CC(N1CCCC1)(C3)C2.
What is the InChIKey of (5S,7R)-3-pyrrolidin-1-yladamantan-1-ol;hydrochloride?
The InChIKey is WNVWRHZZRXKICM-VLPUPSJZSA-N. The full InChI is InChI=1S/C14H23NO.ClH/c16-14-8-11-5-12(9-14)7-13(6-11,10-14)15-3-1-2-4-15;/h11-12,16H,1-10H2;1H/t11-,12+,13?,14?;.
What are the key properties of (5S,7R)-3-pyrrolidin-1-yladamantan-1-ol;hydrochloride?
(5S,7R)-3-pyrrolidin-1-yladamantan-1-ol;hydrochloride has a molecular weight of 257.80 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-3-pyrrolidin-1-yladamantan-1-ol;hydrochloride is sourced from PubChem (CID 134128984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).