1-[(2-chlorothiophen-3-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine

C14H21ClN2S — CID 120841434

IUPAC1-[(2-chlorothiophen-3-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
SMILESClc1sccc1CN1CCC(NCC2CC2)CC1
InChIInChI=1S/C14H21ClN2S/c15-14-12(5-8-18-14)10-17-6-3-13(4-7-17)16-9-11-1-2-11/h5,8,11,13,16H,1-4,6-7,9-10H2
InChIKeyWCLMLJIAQPGNEV-UHFFFAOYSA-N
MW284.86 g/mol
LogP3.37
Rot. Bonds5

About 1-[(2-chlorothiophen-3-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine

1-[(2-chlorothiophen-3-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine (PubChem CID 120841434) has the molecular formula C14H21ClN2S and a molecular weight of 284.86 g/mol. Its IUPAC name is 1-[(2-chlorothiophen-3-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[(2-chlorothiophen-3-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
PubChem CID120841434
Molecular FormulaC14H21ClN2S
Molecular Weight284.86 g/mol
Exact Mass284.11
IUPAC Name1-[(2-chlorothiophen-3-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
SMILESClc1sccc1CN1CCC(NCC2CC2)CC1
InChIInChI=1S/C14H21ClN2S/c15-14-12(5-8-18-14)10-17-6-3-13(4-7-17)16-9-11-1-2-11/h5,8,11,13,16H,1-4,6-7,9-10H2
InChIKeyWCLMLJIAQPGNEV-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.86
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine
CID 106994959
N-(cyclopropylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-amine
CID 104869676
1-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 104973803
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 55090709
N-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine
CID 115306881
3-chloro-4-[[4-(cyclopropylmethylamino)piperidin-1-yl]methyl]benzonitrile
CID 102669337
N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 81494890
N-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 120841490
N-(cyclopropylmethyl)-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119926344
1-(1-benzofuran-3-ylmethyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 115307025
N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62591510
1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 113283386

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorothiophen-3-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine?
The IUPAC name of 1-[(2-chlorothiophen-3-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine (CID 120841434) is 1-[(2-chlorothiophen-3-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-[(2-chlorothiophen-3-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine?
The canonical SMILES for 1-[(2-chlorothiophen-3-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine is Clc1sccc1CN1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-[(2-chlorothiophen-3-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine?
The InChIKey is WCLMLJIAQPGNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2S/c15-14-12(5-8-18-14)10-17-6-3-13(4-7-17)16-9-11-1-2-11/h5,8,11,13,16H,1-4,6-7,9-10H2.
What are the key properties of 1-[(2-chlorothiophen-3-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine?
1-[(2-chlorothiophen-3-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine has a molecular weight of 284.86 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorothiophen-3-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine is sourced from PubChem (CID 120841434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).