(2S)-2-cyclohexyl-2-(piperidin-4-ylamino)acetic acid;dihydrochloride

C13H26Cl2N2O2 — CID 68649857

IUPAC(2S)-2-cyclohexyl-2-(piperidin-4-ylamino)acetic acid;dihydrochloride
SMILESCl.Cl.O=C(O)[C@@H](NC1CCNCC1)C1CCCCC1
InChIInChI=1S/C13H24N2O2.2ClH/c16-13(17)12(10-4-2-1-3-5-10)15-11-6-8-14-9-7-11;;/h10-12,14-15H,1-9H2,(H,16,17);2*1H/t12-;;/m0../s1
InChIKeyOIMIKUXWMUEDAJ-LTCKWSDVSA-N
MW313.27 g/mol
LogP2.21
Rot. Bonds4

About (2S)-2-cyclohexyl-2-(piperidin-4-ylamino)acetic acid;dihydrochloride

(2S)-2-cyclohexyl-2-(piperidin-4-ylamino)acetic acid;dihydrochloride (PubChem CID 68649857) has the molecular formula C13H26Cl2N2O2 and a molecular weight of 313.27 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-(piperidin-4-ylamino)acetic acid;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-(piperidin-4-ylamino)acetic acid;dihydrochloride
PubChem CID68649857
Molecular FormulaC13H26Cl2N2O2
Molecular Weight313.27 g/mol
Exact Mass312.14
IUPAC Name(2S)-2-cyclohexyl-2-(piperidin-4-ylamino)acetic acid;dihydrochloride
SMILESCl.Cl.O=C(O)[C@@H](NC1CCNCC1)C1CCCCC1
InChIInChI=1S/C13H24N2O2.2ClH/c16-13(17)12(10-4-2-1-3-5-10)15-11-6-8-14-9-7-11;;/h10-12,14-15H,1-9H2,(H,16,17);2*1H/t12-;;/m0../s1
InChIKeyOIMIKUXWMUEDAJ-LTCKWSDVSA-N
XLogP2.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

10-(Carboxymethyl)-3-azaspiro[5.5]undecane-4-carboxylic acid
CID 44345177
1-(Piperazin-1-yl)cyclohexane-1-carboxylic acid
CID 61002009
8-Azaspiro[4.5]decane-7-carboxylic acid
CID 105440619
(2S,4R)-4-undecylpiperidine-2-carboxylic acid
CID 155525055
4-Methyl-6-(2-oxobutyl)-2-piperidinecarboxylic acid
CID 194574
2-Azabicyclo[2.2.2]octane-3-carboxylic acid
CID 13050604
(1R,3S,4s)-2-azabicyclo(2.2.2)octane-3-carboxylic acid hydrochloride
CID 43810834
(1S,3R,4s)-2-azabicyclo(2.2.2)octane-3-carboxylic acid hydrochloride
CID 133613187
rac-(2R,4S)-4-ethylpiperidine-2-carboxylic acid hydrochloride
CID 137964507
4-(Piperidin-3-yl)piperidine-2-carboxylic acid dihydrochloride
CID 139022352
rac-(2R,5S)-5-cyclohexylpiperidine-2-carboxylic acid hydrochloride
CID 145899329
rac-(2R,5R)-5-(2-methylpropyl)piperidine-2-carboxylic acid
CID 145912997

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-(piperidin-4-ylamino)acetic acid;dihydrochloride?
The IUPAC name of (2S)-2-cyclohexyl-2-(piperidin-4-ylamino)acetic acid;dihydrochloride (CID 68649857) is (2S)-2-cyclohexyl-2-(piperidin-4-ylamino)acetic acid;dihydrochloride.
What is the SMILES notation for (2S)-2-cyclohexyl-2-(piperidin-4-ylamino)acetic acid;dihydrochloride?
The canonical SMILES for (2S)-2-cyclohexyl-2-(piperidin-4-ylamino)acetic acid;dihydrochloride is Cl.Cl.O=C(O)[C@@H](NC1CCNCC1)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-(piperidin-4-ylamino)acetic acid;dihydrochloride?
The InChIKey is OIMIKUXWMUEDAJ-LTCKWSDVSA-N. The full InChI is InChI=1S/C13H24N2O2.2ClH/c16-13(17)12(10-4-2-1-3-5-10)15-11-6-8-14-9-7-11;;/h10-12,14-15H,1-9H2,(H,16,17);2*1H/t12-;;/m0../s1.
What are the key properties of (2S)-2-cyclohexyl-2-(piperidin-4-ylamino)acetic acid;dihydrochloride?
(2S)-2-cyclohexyl-2-(piperidin-4-ylamino)acetic acid;dihydrochloride has a molecular weight of 313.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-(piperidin-4-ylamino)acetic acid;dihydrochloride is sourced from PubChem (CID 68649857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).