piperidin-4-amine;1-(piperidin-4-ylmethyl)-4-prop-2-ynoxypiperidine

C19H36N4O — CID 177052848

IUPACpiperidin-4-amine;1-(piperidin-4-ylmethyl)-4-prop-2-ynoxypiperidine
SMILESC#CCOC1CCN(CC2CCNCC2)CC1.NC1CCNCC1
InChIInChI=1S/C14H24N2O.C5H12N2/c1-2-11-17-14-5-9-16(10-6-14)12-13-3-7-15-8-4-13;6-5-1-3-7-4-2-5/h1,13-15H,3-12H2;5,7H,1-4,6H2
InChIKeyODKLRHRNLKPYTE-UHFFFAOYSA-N
MW336.52 g/mol
LogP0.80
Rot. Bonds4

About piperidin-4-amine;1-(piperidin-4-ylmethyl)-4-prop-2-ynoxypiperidine

piperidin-4-amine;1-(piperidin-4-ylmethyl)-4-prop-2-ynoxypiperidine (PubChem CID 177052848) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is piperidin-4-amine;1-(piperidin-4-ylmethyl)-4-prop-2-ynoxypiperidine.

Molecular Properties

Compound Namepiperidin-4-amine;1-(piperidin-4-ylmethyl)-4-prop-2-ynoxypiperidine
PubChem CID177052848
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC Namepiperidin-4-amine;1-(piperidin-4-ylmethyl)-4-prop-2-ynoxypiperidine
SMILESC#CCOC1CCN(CC2CCNCC2)CC1.NC1CCNCC1
InChIInChI=1S/C14H24N2O.C5H12N2/c1-2-11-17-14-5-9-16(10-6-14)12-13-3-7-15-8-4-13;6-5-1-3-7-4-2-5/h1,13-15H,3-12H2;5,7H,1-4,6H2
InChIKeyODKLRHRNLKPYTE-UHFFFAOYSA-N
XLogP0.80
TPSA62.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze piperidin-4-amine;1-(piperidin-4-ylmethyl)-4-prop-2-ynoxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxyethanol;hydrochloride
CID 120851709
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
4-cyclohexyloxy-1-(piperidin-4-ylmethyl)piperidine
CID 119931133
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
N-methyl-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanamine
CID 156720132
4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine
CID 61244264
4-[[3-(2-methylpropoxy)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119932458
ethane;4-(methoxymethyl)-1-(piperidin-4-ylmethyl)piperidine
CID 144757867
4-[(3-propan-2-yloxypyrrolidin-1-yl)methyl]piperidine
CID 165136671
[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl carbamate
CID 175359661
1-[(4-propoxycyclohexyl)methyl]piperazine
CID 170953587
4-(3-methylbutyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119932466

Frequently Asked Questions

What is the IUPAC name of piperidin-4-amine;1-(piperidin-4-ylmethyl)-4-prop-2-ynoxypiperidine?
The IUPAC name of piperidin-4-amine;1-(piperidin-4-ylmethyl)-4-prop-2-ynoxypiperidine (CID 177052848) is piperidin-4-amine;1-(piperidin-4-ylmethyl)-4-prop-2-ynoxypiperidine.
What is the SMILES notation for piperidin-4-amine;1-(piperidin-4-ylmethyl)-4-prop-2-ynoxypiperidine?
The canonical SMILES for piperidin-4-amine;1-(piperidin-4-ylmethyl)-4-prop-2-ynoxypiperidine is C#CCOC1CCN(CC2CCNCC2)CC1.NC1CCNCC1.
What is the InChIKey of piperidin-4-amine;1-(piperidin-4-ylmethyl)-4-prop-2-ynoxypiperidine?
The InChIKey is ODKLRHRNLKPYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O.C5H12N2/c1-2-11-17-14-5-9-16(10-6-14)12-13-3-7-15-8-4-13;6-5-1-3-7-4-2-5/h1,13-15H,3-12H2;5,7H,1-4,6H2.
What are the key properties of piperidin-4-amine;1-(piperidin-4-ylmethyl)-4-prop-2-ynoxypiperidine?
piperidin-4-amine;1-(piperidin-4-ylmethyl)-4-prop-2-ynoxypiperidine has a molecular weight of 336.52 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-amine;1-(piperidin-4-ylmethyl)-4-prop-2-ynoxypiperidine is sourced from PubChem (CID 177052848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).