2-(methylamino)-2-(2-piperidin-1-ylethyl)hexanoic acid;dihydrochloride

C14H30Cl2N2O2 — CID 142749169

IUPAC2-(methylamino)-2-(2-piperidin-1-ylethyl)hexanoic acid;dihydrochloride
SMILESCCCCC(CCN1CCCCC1)(NC)C(=O)O.Cl.Cl
InChIInChI=1S/C14H28N2O2.2ClH/c1-3-4-8-14(15-2,13(17)18)9-12-16-10-6-5-7-11-16;;/h15H,3-12H2,1-2H3,(H,17,18);2*1H
InChIKeySKGTXEOXBXALLQ-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.94
Rot. Bonds8

About 2-(methylamino)-2-(2-piperidin-1-ylethyl)hexanoic acid;dihydrochloride

2-(methylamino)-2-(2-piperidin-1-ylethyl)hexanoic acid;dihydrochloride (PubChem CID 142749169) has the molecular formula C14H30Cl2N2O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-(methylamino)-2-(2-piperidin-1-ylethyl)hexanoic acid;dihydrochloride.

Molecular Properties

Compound Name2-(methylamino)-2-(2-piperidin-1-ylethyl)hexanoic acid;dihydrochloride
PubChem CID142749169
Molecular FormulaC14H30Cl2N2O2
Molecular Weight329.31 g/mol
Exact Mass328.17
IUPAC Name2-(methylamino)-2-(2-piperidin-1-ylethyl)hexanoic acid;dihydrochloride
SMILESCCCCC(CCN1CCCCC1)(NC)C(=O)O.Cl.Cl
InChIInChI=1S/C14H28N2O2.2ClH/c1-3-4-8-14(15-2,13(17)18)9-12-16-10-6-5-7-11-16;;/h15H,3-12H2,1-2H3,(H,17,18);2*1H
InChIKeySKGTXEOXBXALLQ-UHFFFAOYSA-N
XLogP2.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-6-borono-2-(methylamino)-2-(2-piperidin-1-ylethyl)hexanoic acid
CID 71600432
5-(azepan-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106805653
acetic acid;1-nonylpiperidine
CID 175874764
5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805845
CID 174927801
CID 174927801
2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid
CID 106806550
CID 162323144
CID 162323144
1-tetradecylpiperidine;hydrochloride
CID 71325293
5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(methylamino)pentanoic acid
CID 106805828
2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid
CID 106806196
acetic acid;1-dodecylpyrrolidine
CID 175583827
1-decylpiperidine;methanesulfonic acid
CID 175874627

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(2-piperidin-1-ylethyl)hexanoic acid;dihydrochloride?
The IUPAC name of 2-(methylamino)-2-(2-piperidin-1-ylethyl)hexanoic acid;dihydrochloride (CID 142749169) is 2-(methylamino)-2-(2-piperidin-1-ylethyl)hexanoic acid;dihydrochloride.
What is the SMILES notation for 2-(methylamino)-2-(2-piperidin-1-ylethyl)hexanoic acid;dihydrochloride?
The canonical SMILES for 2-(methylamino)-2-(2-piperidin-1-ylethyl)hexanoic acid;dihydrochloride is CCCCC(CCN1CCCCC1)(NC)C(=O)O.Cl.Cl.
What is the InChIKey of 2-(methylamino)-2-(2-piperidin-1-ylethyl)hexanoic acid;dihydrochloride?
The InChIKey is SKGTXEOXBXALLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2.2ClH/c1-3-4-8-14(15-2,13(17)18)9-12-16-10-6-5-7-11-16;;/h15H,3-12H2,1-2H3,(H,17,18);2*1H.
What are the key properties of 2-(methylamino)-2-(2-piperidin-1-ylethyl)hexanoic acid;dihydrochloride?
2-(methylamino)-2-(2-piperidin-1-ylethyl)hexanoic acid;dihydrochloride has a molecular weight of 329.31 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-(2-piperidin-1-ylethyl)hexanoic acid;dihydrochloride is sourced from PubChem (CID 142749169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).