[4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone

C16H29N3O2 — CID 61020228

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
SMILESO=C(C1CCCN1C1CCNCC1)N1CCC(CO)CC1
InChIInChI=1S/C16H29N3O2/c20-12-13-5-10-18(11-6-13)16(21)15-2-1-9-19(15)14-3-7-17-8-4-14/h13-15,17,20H,1-12H2
InChIKeyMVTBFZDBLZDQJB-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.43
Rot. Bonds3

About [4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone

[4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone (PubChem CID 61020228) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
PubChem CID61020228
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
SMILESO=C(C1CCCN1C1CCNCC1)N1CCC(CO)CC1
InChIInChI=1S/C16H29N3O2/c20-12-13-5-10-18(11-6-13)16(21)15-2-1-9-19(15)14-3-7-17-8-4-14/h13-15,17,20H,1-12H2
InChIKeyMVTBFZDBLZDQJB-UHFFFAOYSA-N
XLogP0.43
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 62931613
2-[1-(1-piperidin-4-ylpyrrolidine-2-carbonyl)azetidin-3-yl]acetic acid
CID 64604814
(4-methyl-1,4-diazepan-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61019778
[(3S)-3-hydroxypiperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 107222957
(4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 114678294
piperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone
CID 54981939
[1-(oxan-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61176841
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 115965183
[1-(4-methylcycloheptyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 65085268
cyclopropylmethyl 1-piperidin-4-ylpyrrolidine-2-carboxylate
CID 61150843
[1-(oxolan-3-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 63333598
(2-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61020224

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone (CID 61020228) is [4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone is O=C(C1CCCN1C1CCNCC1)N1CCC(CO)CC1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The InChIKey is MVTBFZDBLZDQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c20-12-13-5-10-18(11-6-13)16(21)15-2-1-9-19(15)14-3-7-17-8-4-14/h13-15,17,20H,1-12H2.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
[4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone has a molecular weight of 295.43 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 61020228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).