N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride

C14H27Cl2N3S — CID 119922529

IUPACN-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride
SMILESCCCc1nc(CN2CCC(CNC)CC2)cs1.Cl.Cl
InChIInChI=1S/C14H25N3S.2ClH/c1-3-4-14-16-13(11-18-14)10-17-7-5-12(6-8-17)9-15-2;;/h11-12,15H,3-10H2,1-2H3;2*1H
InChIKeyXTOIQUMYWVMNLQ-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.37
Rot. Bonds6

About N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride

N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride (PubChem CID 119922529) has the molecular formula C14H27Cl2N3S and a molecular weight of 340.36 g/mol. Its IUPAC name is N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride
PubChem CID119922529
Molecular FormulaC14H27Cl2N3S
Molecular Weight340.36 g/mol
Exact Mass339.13
IUPAC NameN-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride
SMILESCCCc1nc(CN2CCC(CNC)CC2)cs1.Cl.Cl
InChIInChI=1S/C14H25N3S.2ClH/c1-3-4-14-16-13(11-18-14)10-17-7-5-12(6-8-17)9-15-2;;/h11-12,15H,3-10H2,1-2H3;2*1H
InChIKeyXTOIQUMYWVMNLQ-UHFFFAOYSA-N
XLogP3.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride with MolForge

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Related Compounds

N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 63848766
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 63250806
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920780
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 55168538
N-(cyclopropylmethyl)-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120841666
N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 62545261
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910148
N,N-diethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 86870585
N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 63849685
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628440
4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 71879328

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride?
The IUPAC name of N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride (CID 119922529) is N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride.
What is the SMILES notation for N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride?
The canonical SMILES for N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride is CCCc1nc(CN2CCC(CNC)CC2)cs1.Cl.Cl.
What is the InChIKey of N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride?
The InChIKey is XTOIQUMYWVMNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S.2ClH/c1-3-4-14-16-13(11-18-14)10-17-7-5-12(6-8-17)9-15-2;;/h11-12,15H,3-10H2,1-2H3;2*1H.
What are the key properties of N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride?
N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride has a molecular weight of 340.36 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride is sourced from PubChem (CID 119922529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).