1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidin-4-amine

C14H27N3O — CID 114410942

IUPAC1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidin-4-amine
SMILESCOCC1=CCN(CCN2CCC(N)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-18-12-13-2-6-16(7-3-13)10-11-17-8-4-14(15)5-9-17/h2,14H,3-12,15H2,1H3
InChIKeyVRUQXUUGDAPEBZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.69
Rot. Bonds5

About 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidin-4-amine

1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidin-4-amine (PubChem CID 114410942) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidin-4-amine
PubChem CID114410942
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidin-4-amine
SMILESCOCC1=CCN(CCN2CCC(N)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-18-12-13-2-6-16(7-3-13)10-11-17-8-4-14(15)5-9-17/h2,14H,3-12,15H2,1H3
InChIKeyVRUQXUUGDAPEBZ-UHFFFAOYSA-N
XLogP0.69
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidin-4-amine (CID 114410942) is 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidin-4-amine is COCC1=CCN(CCN2CCC(N)CC2)CC1.
What is the InChIKey of 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidin-4-amine?
The InChIKey is VRUQXUUGDAPEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-18-12-13-2-6-16(7-3-13)10-11-17-8-4-14(15)5-9-17/h2,14H,3-12,15H2,1H3.
What are the key properties of 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidin-4-amine?
1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidin-4-amine has a molecular weight of 253.39 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidin-4-amine is sourced from PubChem (CID 114410942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).