2-methoxy-N-(piperidin-3-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine;hydrochloride

C13H24ClN3OS — CID 120858130

IUPAC2-methoxy-N-(piperidin-3-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine;hydrochloride
SMILESCOCCN(Cc1cncs1)CC1CCCNC1.Cl
InChIInChI=1S/C13H23N3OS.ClH/c1-17-6-5-16(10-13-8-15-11-18-13)9-12-3-2-4-14-7-12;/h8,11-12,14H,2-7,9-10H2,1H3;1H
InChIKeyZGBUPQYTTMSGSN-UHFFFAOYSA-N
MW305.87 g/mol
LogP2.01
Rot. Bonds7

About 2-methoxy-N-(piperidin-3-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine;hydrochloride

2-methoxy-N-(piperidin-3-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine;hydrochloride (PubChem CID 120858130) has the molecular formula C13H24ClN3OS and a molecular weight of 305.87 g/mol. Its IUPAC name is 2-methoxy-N-(piperidin-3-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-methoxy-N-(piperidin-3-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine;hydrochloride
PubChem CID120858130
Molecular FormulaC13H24ClN3OS
Molecular Weight305.87 g/mol
Exact Mass305.13
IUPAC Name2-methoxy-N-(piperidin-3-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine;hydrochloride
SMILESCOCCN(Cc1cncs1)CC1CCCNC1.Cl
InChIInChI=1S/C13H23N3OS.ClH/c1-17-6-5-16(10-13-8-15-11-18-13)9-12-3-2-4-14-7-12;/h8,11-12,14H,2-7,9-10H2,1H3;1H
InChIKeyZGBUPQYTTMSGSN-UHFFFAOYSA-N
XLogP2.01
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.87
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(piperidin-3-ylmethyl)-1,3-thiazole
CID 112644485
3-[2-methoxyethyl(piperidin-3-ylmethyl)amino]propanenitrile
CID 80554321
N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 106603791
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 71642202
5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole
CID 97166187
N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625380
N-(2-methoxyethyl)-N-(piperidin-3-ylmethyl)thian-3-amine;hydrochloride
CID 120858112
4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
CID 106625159
2-[(5-bromothiophen-2-yl)methyl-(piperidin-3-ylmethyl)amino]ethanol
CID 120851982
2-(2-methoxyethoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
CID 106636684
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625448

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(piperidin-3-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of 2-methoxy-N-(piperidin-3-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine;hydrochloride (CID 120858130) is 2-methoxy-N-(piperidin-3-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-methoxy-N-(piperidin-3-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 2-methoxy-N-(piperidin-3-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine;hydrochloride is COCCN(Cc1cncs1)CC1CCCNC1.Cl.
What is the InChIKey of 2-methoxy-N-(piperidin-3-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine;hydrochloride?
The InChIKey is ZGBUPQYTTMSGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS.ClH/c1-17-6-5-16(10-13-8-15-11-18-13)9-12-3-2-4-14-7-12;/h8,11-12,14H,2-7,9-10H2,1H3;1H.
What are the key properties of 2-methoxy-N-(piperidin-3-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine;hydrochloride?
2-methoxy-N-(piperidin-3-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine;hydrochloride has a molecular weight of 305.87 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(piperidin-3-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 120858130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).