N-(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride

C14H30Cl2N2 — CID 155820138

IUPACN-(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride
SMILESC1CCC(CNCCN2CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C14H28N2.2ClH/c1-3-7-14(8-4-1)13-15-9-12-16-10-5-2-6-11-16;;/h14-15H,1-13H2;2*1H
InChIKeyHYFMDMYBFMJPSC-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.49
Rot. Bonds5

About N-(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride

N-(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride (PubChem CID 155820138) has the molecular formula C14H30Cl2N2 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride
PubChem CID155820138
Molecular FormulaC14H30Cl2N2
Molecular Weight297.31 g/mol
Exact Mass296.18
IUPAC NameN-(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride
SMILESC1CCC(CNCCN2CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C14H28N2.2ClH/c1-3-7-14(8-4-1)13-15-9-12-16-10-5-2-6-11-16;;/h14-15H,1-13H2;2*1H
InChIKeyHYFMDMYBFMJPSC-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride?
The IUPAC name of N-(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride (CID 155820138) is N-(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride.
What is the SMILES notation for N-(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride?
The canonical SMILES for N-(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride is C1CCC(CNCCN2CCCCC2)CC1.Cl.Cl.
What is the InChIKey of N-(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride?
The InChIKey is HYFMDMYBFMJPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.2ClH/c1-3-7-14(8-4-1)13-15-9-12-16-10-5-2-6-11-16;;/h14-15H,1-13H2;2*1H.
What are the key properties of N-(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride?
N-(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride has a molecular weight of 297.31 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride is sourced from PubChem (CID 155820138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).