N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine

C14H22N2S — CID 62579502

IUPACN-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine
SMILESc1cc(CN2CCCCC2CNC2CC2)cs1
InChIInChI=1S/C14H22N2S/c1-2-7-16(10-12-6-8-17-11-12)14(3-1)9-15-13-4-5-13/h6,8,11,13-15H,1-5,7,9-10H2
InChIKeyBTHPEDOPPNYJKY-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.85
Rot. Bonds5

About N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine

N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine (PubChem CID 62579502) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine
PubChem CID62579502
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine
SMILESc1cc(CN2CCCCC2CNC2CC2)cs1
InChIInChI=1S/C14H22N2S/c1-2-7-16(10-12-6-8-17-11-12)14(3-1)9-15-13-4-5-13/h6,8,11,13-15H,1-5,7,9-10H2
InChIKeyBTHPEDOPPNYJKY-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581623
2-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidine
CID 63387601
3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910961
N-[[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 62579866
N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 81024776
N-[[1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 107306708
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62580373
1-[1-(thiophen-3-ylmethyl)piperidin-2-yl]propan-1-ol
CID 115882861
N-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 81026994
N-[[1-(cyclopropylmethyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62580411
2-cyclobutyl-5-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]-1,3,4-oxadiazole
CID 129486644
1-(thiophen-3-ylmethyl)azetidine
CID 131087701

Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine (CID 62579502) is N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine is c1cc(CN2CCCCC2CNC2CC2)cs1.
What is the InChIKey of N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine?
The InChIKey is BTHPEDOPPNYJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-2-7-16(10-12-6-8-17-11-12)14(3-1)9-15-13-4-5-13/h6,8,11,13-15H,1-5,7,9-10H2.
What are the key properties of N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine?
N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine has a molecular weight of 250.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62579502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).