N-(3-pyrimidin-2-ylpropyl)piperidin-4-amine;dihydrochloride

C12H22Cl2N4 — CID 18374724

IUPACN-(3-pyrimidin-2-ylpropyl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.c1cnc(CCCNC2CCNCC2)nc1
InChIInChI=1S/C12H20N4.2ClH/c1(3-12-15-7-2-8-16-12)6-14-11-4-9-13-10-5-11;;/h2,7-8,11,13-14H,1,3-6,9-10H2;2*1H
InChIKeyHYOWPHQHCTUKFI-UHFFFAOYSA-N
MW293.24 g/mol
LogP1.59
Rot. Bonds5

About N-(3-pyrimidin-2-ylpropyl)piperidin-4-amine;dihydrochloride

N-(3-pyrimidin-2-ylpropyl)piperidin-4-amine;dihydrochloride (PubChem CID 18374724) has the molecular formula C12H22Cl2N4 and a molecular weight of 293.24 g/mol. Its IUPAC name is N-(3-pyrimidin-2-ylpropyl)piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-(3-pyrimidin-2-ylpropyl)piperidin-4-amine;dihydrochloride
PubChem CID18374724
Molecular FormulaC12H22Cl2N4
Molecular Weight293.24 g/mol
Exact Mass292.12
IUPAC NameN-(3-pyrimidin-2-ylpropyl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.c1cnc(CCCNC2CCNCC2)nc1
InChIInChI=1S/C12H20N4.2ClH/c1(3-12-15-7-2-8-16-12)6-14-11-4-9-13-10-5-11;;/h2,7-8,11,13-14H,1,3-6,9-10H2;2*1H
InChIKeyHYOWPHQHCTUKFI-UHFFFAOYSA-N
XLogP1.59
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-pyrimidin-2-ylpropyl)piperidin-4-amine;dihydrochloride?
The IUPAC name of N-(3-pyrimidin-2-ylpropyl)piperidin-4-amine;dihydrochloride (CID 18374724) is N-(3-pyrimidin-2-ylpropyl)piperidin-4-amine;dihydrochloride.
What is the SMILES notation for N-(3-pyrimidin-2-ylpropyl)piperidin-4-amine;dihydrochloride?
The canonical SMILES for N-(3-pyrimidin-2-ylpropyl)piperidin-4-amine;dihydrochloride is Cl.Cl.c1cnc(CCCNC2CCNCC2)nc1.
What is the InChIKey of N-(3-pyrimidin-2-ylpropyl)piperidin-4-amine;dihydrochloride?
The InChIKey is HYOWPHQHCTUKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4.2ClH/c1(3-12-15-7-2-8-16-12)6-14-11-4-9-13-10-5-11;;/h2,7-8,11,13-14H,1,3-6,9-10H2;2*1H.
What are the key properties of N-(3-pyrimidin-2-ylpropyl)piperidin-4-amine;dihydrochloride?
N-(3-pyrimidin-2-ylpropyl)piperidin-4-amine;dihydrochloride has a molecular weight of 293.24 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrimidin-2-ylpropyl)piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 18374724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).