4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine

C16H31N3 — CID 61244264

IUPAC4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine
SMILESC1CCN(C2CCN(CC3CCNCC3)CC2)CC1
InChIInChI=1S/C16H31N3/c1-2-10-19(11-3-1)16-6-12-18(13-7-16)14-15-4-8-17-9-5-15/h15-17H,1-14H2
InChIKeyPOUITHJLQYUAOF-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.94
Rot. Bonds3

About 4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine

4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine (PubChem CID 61244264) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine.

Molecular Properties

Compound Name4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine
PubChem CID61244264
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine
SMILESC1CCN(C2CCN(CC3CCNCC3)CC2)CC1
InChIInChI=1S/C16H31N3/c1-2-10-19(11-3-1)16-6-12-18(13-7-16)14-15-4-8-17-9-5-15/h15-17H,1-14H2
InChIKeyPOUITHJLQYUAOF-UHFFFAOYSA-N
XLogP1.94
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine
CID 167265149
[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 79519722
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
1-piperidin-4-ylpiperidine chloride
CID 3083875
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
2-methyl-7-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-7-azaspiro[3.5]nonane
CID 170022851
1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine
CID 177134839
4-pyrrolidin-1-ylpiperidine;hydrochloride
CID 45075209
4-cyclohexyloxy-1-(piperidin-4-ylmethyl)piperidine
CID 119931133
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86311653
azane;1-piperidin-4-ylpiperidine;platinum(2+);dichloride
CID 10297684
3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 63046291

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine?
The IUPAC name of 4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine (CID 61244264) is 4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine.
What is the SMILES notation for 4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine?
The canonical SMILES for 4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine is C1CCN(C2CCN(CC3CCNCC3)CC2)CC1.
What is the InChIKey of 4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine?
The InChIKey is POUITHJLQYUAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-2-10-19(11-3-1)16-6-12-18(13-7-16)14-15-4-8-17-9-5-15/h15-17H,1-14H2.
What are the key properties of 4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine?
4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine has a molecular weight of 265.44 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine is sourced from PubChem (CID 61244264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).