2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride

C14H26ClN3S — CID 120846302

IUPAC2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCCCc1csc(CN2CCCC(CCN)C2)n1.Cl
InChIInChI=1S/C14H25N3S.ClH/c1-2-4-13-11-18-14(16-13)10-17-8-3-5-12(9-17)6-7-15;/h11-12H,2-10,15H2,1H3;1H
InChIKeyKTOXQCQEGONWKU-UHFFFAOYSA-N
MW303.90 g/mol
LogP3.08
Rot. Bonds6

About 2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride

2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 120846302) has the molecular formula C14H26ClN3S and a molecular weight of 303.90 g/mol. Its IUPAC name is 2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
PubChem CID120846302
Molecular FormulaC14H26ClN3S
Molecular Weight303.90 g/mol
Exact Mass303.15
IUPAC Name2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCCCc1csc(CN2CCCC(CCN)C2)n1.Cl
InChIInChI=1S/C14H25N3S.ClH/c1-2-4-13-11-18-14(16-13)10-17-8-3-5-12(9-17)6-7-15;/h11-12H,2-10,15H2,1H3;1H
InChIKeyKTOXQCQEGONWKU-UHFFFAOYSA-N
XLogP3.08
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.90
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride
CID 120838062
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728713
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910148
N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 63849685
2-[(3S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine
CID 124517257
2-[1-(thiadiazol-4-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 120728721
2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846233
N-(cyclopropylmethyl)-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120841666
N-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 120842796
N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 62545261
2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid
CID 106814013
2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine
CID 120846234

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride (CID 120846302) is 2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride is CCCc1csc(CN2CCCC(CCN)C2)n1.Cl.
What is the InChIKey of 2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is KTOXQCQEGONWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S.ClH/c1-2-4-13-11-18-14(16-13)10-17-8-3-5-12(9-17)6-7-15;/h11-12H,2-10,15H2,1H3;1H.
What are the key properties of 2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 303.90 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120846302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).