4-(aminomethyl)-N-methyl-1-propyl-N-(thiolan-3-yl)piperidin-4-amine

C14H29N3S — CID 43296501

IUPAC4-(aminomethyl)-N-methyl-1-propyl-N-(thiolan-3-yl)piperidin-4-amine
SMILESCCCN1CCC(CN)(N(C)C2CCSC2)CC1
InChIInChI=1S/C14H29N3S/c1-3-7-17-8-5-14(12-15,6-9-17)16(2)13-4-10-18-11-13/h13H,3-12,15H2,1-2H3
InChIKeyMIHBKILPEZUKSH-UHFFFAOYSA-N
MW271.47 g/mol
LogP1.63
Rot. Bonds5

About 4-(aminomethyl)-N-methyl-1-propyl-N-(thiolan-3-yl)piperidin-4-amine

4-(aminomethyl)-N-methyl-1-propyl-N-(thiolan-3-yl)piperidin-4-amine (PubChem CID 43296501) has the molecular formula C14H29N3S and a molecular weight of 271.47 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-1-propyl-N-(thiolan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-1-propyl-N-(thiolan-3-yl)piperidin-4-amine
PubChem CID43296501
Molecular FormulaC14H29N3S
Molecular Weight271.47 g/mol
Exact Mass271.21
IUPAC Name4-(aminomethyl)-N-methyl-1-propyl-N-(thiolan-3-yl)piperidin-4-amine
SMILESCCCN1CCC(CN)(N(C)C2CCSC2)CC1
InChIInChI=1S/C14H29N3S/c1-3-7-17-8-5-14(12-15,6-9-17)16(2)13-4-10-18-11-13/h13H,3-12,15H2,1-2H3
InChIKeyMIHBKILPEZUKSH-UHFFFAOYSA-N
XLogP1.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 131967174
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CID 135228318
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CID 153331161
CID 153331161

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-1-propyl-N-(thiolan-3-yl)piperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-1-propyl-N-(thiolan-3-yl)piperidin-4-amine (CID 43296501) is 4-(aminomethyl)-N-methyl-1-propyl-N-(thiolan-3-yl)piperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-1-propyl-N-(thiolan-3-yl)piperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-1-propyl-N-(thiolan-3-yl)piperidin-4-amine is CCCN1CCC(CN)(N(C)C2CCSC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-1-propyl-N-(thiolan-3-yl)piperidin-4-amine?
The InChIKey is MIHBKILPEZUKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3S/c1-3-7-17-8-5-14(12-15,6-9-17)16(2)13-4-10-18-11-13/h13H,3-12,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-methyl-1-propyl-N-(thiolan-3-yl)piperidin-4-amine?
4-(aminomethyl)-N-methyl-1-propyl-N-(thiolan-3-yl)piperidin-4-amine has a molecular weight of 271.47 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-1-propyl-N-(thiolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 43296501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).