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

C14H25N3S — CID 106636510

IUPACN-methyl-1-piperidin-3-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCCCc1nc(CN(C)CC2CCCNC2)cs1
InChIInChI=1S/C14H25N3S/c1-3-5-14-16-13(11-18-14)10-17(2)9-12-6-4-7-15-8-12/h11-12,15H,3-10H2,1-2H3
InChIKeyYIQHZQXPOYJWKX-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.53
Rot. Bonds6

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

N-methyl-1-piperidin-3-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 106636510) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-methyl-1-piperidin-3-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-piperidin-3-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID106636510
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-methyl-1-piperidin-3-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCCCc1nc(CN(C)CC2CCCNC2)cs1
InChIInChI=1S/C14H25N3S/c1-3-5-14-16-13(11-18-14)10-17(2)9-12-6-4-7-15-8-12/h11-12,15H,3-10H2,1-2H3
InChIKeyYIQHZQXPOYJWKX-UHFFFAOYSA-N
XLogP2.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639699
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624601
N-[[4-[[cyclohexylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62411836
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62426744
1-cyclohexyl-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]methanamine
CID 62411662
N-methyl-2-piperazin-1-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 63265394
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624973
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 107124553
N-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 106637462
2-[4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66386282
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 71642202
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)methanamine;hydrochloride
CID 119930005

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-piperidin-3-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-piperidin-3-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]methanamine (CID 106636510) is N-methyl-1-piperidin-3-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-piperidin-3-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-piperidin-3-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]methanamine is CCCc1nc(CN(C)CC2CCCNC2)cs1.
What is the InChIKey of N-methyl-1-piperidin-3-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is YIQHZQXPOYJWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-5-14-16-13(11-18-14)10-17(2)9-12-6-4-7-15-8-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of N-methyl-1-piperidin-3-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]methanamine?
N-methyl-1-piperidin-3-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 267.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-piperidin-3-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 106636510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).