N-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine

C16H29N3S — CID 106637462

IUPACN-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCC(C)c1nc(CN(CC2CCCNC2)C(C)C)cs1
InChIInChI=1S/C16H29N3S/c1-12(2)16-18-15(11-20-16)10-19(13(3)4)9-14-6-5-7-17-8-14/h11-14,17H,5-10H2,1-4H3
InChIKeyNAWCDHYNMNZQNU-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.48
Rot. Bonds6

About N-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine

N-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine (PubChem CID 106637462) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
PubChem CID106637462
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCC(C)c1nc(CN(CC2CCCNC2)C(C)C)cs1
InChIInChI=1S/C16H29N3S/c1-12(2)16-18-15(11-20-16)10-19(13(3)4)9-14-6-5-7-17-8-14/h11-14,17H,5-10H2,1-4H3
InChIKeyNAWCDHYNMNZQNU-UHFFFAOYSA-N
XLogP3.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624142
N-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 95122940
N-[(5-bromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106623970
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624973
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624601
N-[(4,5-dibromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624273
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639699
N-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637770
N-methyl-1-piperidin-3-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]methanamine
CID 106636510
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 119930509
2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106624038

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine (CID 106637462) is N-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine is CC(C)c1nc(CN(CC2CCCNC2)C(C)C)cs1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The InChIKey is NAWCDHYNMNZQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-12(2)16-18-15(11-20-16)10-19(13(3)4)9-14-6-5-7-17-8-14/h11-14,17H,5-10H2,1-4H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine?
N-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine has a molecular weight of 295.50 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 106637462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).